1-[2-[2,6-bis[2-(9-methylcarbazol-1-yl)phenyl]-4-pyridinyl]phenyl]-9-methylcarbazole;1-[2-[4,6-bis[2-(9-phenylcarbazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole;8,21-dioxa-28,30-dithia-5-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21-dioxa-28,30-dithia-27-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21-dioxa-28,30-dithia-4,25-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;10-[2-[2-(2-phenoxazin-10-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;8,21,28,30-tetraoxa-4-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-5,24-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-27,32-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene

C336H229N23O20S6 — CID 160817711

About 1-[2-[2,6-bis[2-(9-methylcarbazol-1-yl)phenyl]-4-pyridinyl]phenyl]-9-methylcarbazole;1-[2-[4,6-bis[2-(9-phenylcarbazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole;8,21-dioxa-28,30-dithia-5-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21-dioxa-28,30-dithia-27-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21-dioxa-28,30-dithia-4,25-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;10-[2-[2-(2-phenoxazin-10-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;8,21,28,30-tetraoxa-4-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-5,24-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-27,32-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene

1-[2-[2,6-bis[2-(9-methylcarbazol-1-yl)phenyl]-4-pyridinyl]phenyl]-9-methylcarbazole;1-[2-[4,6-bis[2-(9-phenylcarbazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole;8,21-dioxa-28,30-dithia-5-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21-dioxa-28,30-dithia-27-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21-dioxa-28,30-dithia-4,25-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;10-[2-[2-(2-phenoxazin-10-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;8,21,28,30-tetraoxa-4-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-5,24-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-27,32-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene (PubChem CID 160817711) has the molecular formula C336H229N23O20S6 and a molecular weight of 5101.07 g/mol. Its IUPAC name is 1-[2-[2,6-bis[2-(9-methylcarbazol-1-yl)phenyl]-4-pyridinyl]phenyl]-9-methylcarbazole;1-[2-[4,6-bis[2-(9-phenylcarbazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole;8,21-dioxa-28,30-dithia-5-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21-dioxa-28,30-dithia-27-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21-dioxa-28,30-dithia-4,25-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;10-[2-[2-(2-phenoxazin-10-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;8,21,28,30-tetraoxa-4-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-5,24-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-27,32-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene.

Molecular Properties

• Compound Name: 1-[2-[2,6-bis[2-(9-methylcarbazol-1-yl)phenyl]-4-pyridinyl]phenyl]-9-methylcarbazole;1-[2-[4,6-bis[2-(9-phenylcarbazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole;8,21-dioxa-28,30-dithia-5-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21-dioxa-28,30-dithia-27-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21-dioxa-28,30-dithia-4,25-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;10-[2-[2-(2-phenoxazin-10-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;8,21,28,30-tetraoxa-4-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-5,24-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-27,32-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene
• PubChem CID: 160817711
• Molecular Formula: C336H229N23O20S6
• Molecular Weight: 5101.07 g/mol
• Exact Mass: 5096.59
• IUPAC Name: 1-[2-[2,6-bis[2-(9-methylcarbazol-1-yl)phenyl]-4-pyridinyl]phenyl]-9-methylcarbazole;1-[2-[4,6-bis[2-(9-phenylcarbazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole;8,21-dioxa-28,30-dithia-5-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21-dioxa-28,30-dithia-27-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21-dioxa-28,30-dithia-4,25-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;10-[2-[2-(2-phenoxazin-10-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;8,21,28,30-tetraoxa-4-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-5,24-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-27,32-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene
• SMILES: Cn1c2ccccc2c2cccc(-c3ccccc3-c3cc(-c4ccccc4-c4cccc5c6ccccc6n(C)c45)nc(-c4ccccc4-c4cccc5c6ccccc6n(C)c45)c3)c21.c1cc2oc3ccc4cc3c2cc1COCc1cc2c(cn1)oc1cnc(cc12)COC4.c1cc2oc3ccc4cc3c2cc1COCc1ccc2oc3ccc(nc3c2n1)COC4.c1cc2oc3ccc4cc3c2cc1COCc1ccc2oc3ncc(cc3c2c1)COC4.c1cc2sc3ccc4cc3c2cc1COCc1ccc2sc3ccc(nc3c2c1)COC4.c1cc2sc3ccc4cc3c2cc1COCc1ccc2sc3cnc(cc3c2c1)COC4.c1cc2sc3ccc4cc3c2cc1COCc1cnc2sc3ncc(cc3c2c1)COC4.c1ccc(-n2c3ccccc3c3cccc(-c4ccccc4-c4nc(-c5ccccc5-c5cccc6c7ccccc7n(-c7ccccc7)c56)nc(-c5ccccc5-c5cccc6c7ccccc7n(-c7ccccc7)c56)n4)c32)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccccc1-c1ccnc(-c2ccccc2N2c3ccccc3Oc3ccccc32)n1
• InChI: InChI=1S/C75H48N6.C62H44N4.C40H26N4O2.C27H19NO4.2C27H19NO2S2.2C26H18N2O4.C26H18N2O2S2/c1-4-25-49(26-5-1)79-67-46-19-16-34-55(67)61-43-22-40-58(70(61)79)52-31-10-13-37-64(52)73-76-74(65-38-14-11-32-53(65)59-41-23-44-62-56-35-17-20-47-68(56)80(71(59)62)50-27-6-2-7-28-50)78-75(77-73)66-39-15-12-33-54(66)60-42-24-45-63-57-36-18-21-48-69(57)81(72(60)63)51-29-8-3-9-30-51;1-64-57-34-13-10-25-46(57)52-31-16-28-49(60(52)64)41-20-5-4-19-40(41)39-37-55(44-23-8-6-21-42(44)50-29-17-32-53-47-26-11-14-35-58(47)65(2)61(50)53)63-56(38-39)45-24-9-7-22-43(45)51-30-18-33-54-48-27-12-15-36-59(48)66(3)62(51)54;1-3-15-30(43-32-17-5-9-21-36(32)45-37-22-10-6-18-33(37)43)27(13-1)29-25-26-41-40(42-29)28-14-2-4-16-31(28)44-34-19-7-11-23-38(34)46-39-24-12-8-20-35(39)44;1-4-24-20-7-16(1)12-29-13-18-3-6-26-22(9-18)23-10-19(11-28-27(23)32-26)15-30-14-17-2-5-25(31-24)21(20)8-17;1-5-23-20-9-16(1)12-29-13-18-3-7-25-22(11-18)27-26(32-25)8-4-19(28-27)15-30-14-17-2-6-24(31-23)21(20)10-17;1-4-24-20-7-16(1)12-29-13-17-3-6-26-22(9-17)23-10-19(28-11-27(23)32-26)15-30-14-18-2-5-25(31-24)21(20)8-18;1-5-21-19-9-15(1)11-29-13-17-3-7-23-25(27-17)26-24(32-23)8-4-18(28-26)14-30-12-16-2-6-22(31-21)20(19)10-16;1-3-23-19-5-15(1)11-29-13-17-7-21-22-8-18(28-10-26(22)32-25(21)9-27-17)14-30-12-16-2-4-24(31-23)20(19)6-16;1-3-23-19-5-15(1)11-29-13-17-7-21-22-8-18(10-28-26(22)32-25(21)27-9-17)14-30-12-16-2-4-24(31-23)20(19)6-16/h1-48H;4-38H,1-3H3;1-26H;3*1-11H,12-15H2;3*1-10H,11-14H2
• InChIKey: SFCUCFZGXYSLND-UHFFFAOYSA-N
• XLogP: 86.91
• TPSA: 437.47 Ų
• H-Bond Acceptors: 49
• Rotatable Bonds: 19
• Heavy Atoms: 385
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5101.07
LogP ≤ 5	86.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2,6-bis[2-(9-methylcarbazol-1-yl)phenyl]-4-pyridinyl]phenyl]-9-methylcarbazole;1-[2-[4,6-bis[2-(9-phenylcarbazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole;8,21-dioxa-28,30-dithia-5-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21-dioxa-28,30-dithia-27-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21-dioxa-28,30-dithia-4,25-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;10-[2-[2-(2-phenoxazin-10-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;8,21,28,30-tetraoxa-4-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-5,24-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-27,32-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene?

The IUPAC name of 1-[2-[2,6-bis[2-(9-methylcarbazol-1-yl)phenyl]-4-pyridinyl]phenyl]-9-methylcarbazole;1-[2-[4,6-bis[2-(9-phenylcarbazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole;8,21-dioxa-28,30-dithia-5-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21-dioxa-28,30-dithia-27-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21-dioxa-28,30-dithia-4,25-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;10-[2-[2-(2-phenoxazin-10-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;8,21,28,30-tetraoxa-4-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-5,24-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-27,32-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene (CID 160817711) is 1-[2-[2,6-bis[2-(9-methylcarbazol-1-yl)phenyl]-4-pyridinyl]phenyl]-9-methylcarbazole;1-[2-[4,6-bis[2-(9-phenylcarbazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole;8,21-dioxa-28,30-dithia-5-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21-dioxa-28,30-dithia-27-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21-dioxa-28,30-dithia-4,25-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;10-[2-[2-(2-phenoxazin-10-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;8,21,28,30-tetraoxa-4-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-5,24-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-27,32-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene.

What is the SMILES notation for 1-[2-[2,6-bis[2-(9-methylcarbazol-1-yl)phenyl]-4-pyridinyl]phenyl]-9-methylcarbazole;1-[2-[4,6-bis[2-(9-phenylcarbazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole;8,21-dioxa-28,30-dithia-5-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21-dioxa-28,30-dithia-27-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21-dioxa-28,30-dithia-4,25-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;10-[2-[2-(2-phenoxazin-10-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;8,21,28,30-tetraoxa-4-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-5,24-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-27,32-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene?

The canonical SMILES for 1-[2-[2,6-bis[2-(9-methylcarbazol-1-yl)phenyl]-4-pyridinyl]phenyl]-9-methylcarbazole;1-[2-[4,6-bis[2-(9-phenylcarbazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole;8,21-dioxa-28,30-dithia-5-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21-dioxa-28,30-dithia-27-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21-dioxa-28,30-dithia-4,25-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;10-[2-[2-(2-phenoxazin-10-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;8,21,28,30-tetraoxa-4-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-5,24-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-27,32-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene is Cn1c2ccccc2c2cccc(-c3ccccc3-c3cc(-c4ccccc4-c4cccc5c6ccccc6n(C)c45)nc(-c4ccccc4-c4cccc5c6ccccc6n(C)c45)c3)c21.c1cc2oc3ccc4cc3c2cc1COCc1cc2c(cn1)oc1cnc(cc12)COC4.c1cc2oc3ccc4cc3c2cc1COCc1ccc2oc3ccc(nc3c2n1)COC4.c1cc2oc3ccc4cc3c2cc1COCc1ccc2oc3ncc(cc3c2c1)COC4.c1cc2sc3ccc4cc3c2cc1COCc1ccc2sc3ccc(nc3c2c1)COC4.c1cc2sc3ccc4cc3c2cc1COCc1ccc2sc3cnc(cc3c2c1)COC4.c1cc2sc3ccc4cc3c2cc1COCc1cnc2sc3ncc(cc3c2c1)COC4.c1ccc(-n2c3ccccc3c3cccc(-c4ccccc4-c4nc(-c5ccccc5-c5cccc6c7ccccc7n(-c7ccccc7)c56)nc(-c5ccccc5-c5cccc6c7ccccc7n(-c7ccccc7)c56)n4)c32)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccccc1-c1ccnc(-c2ccccc2N2c3ccccc3Oc3ccccc32)n1.

What is the InChIKey of 1-[2-[2,6-bis[2-(9-methylcarbazol-1-yl)phenyl]-4-pyridinyl]phenyl]-9-methylcarbazole;1-[2-[4,6-bis[2-(9-phenylcarbazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole;8,21-dioxa-28,30-dithia-5-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21-dioxa-28,30-dithia-27-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21-dioxa-28,30-dithia-4,25-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;10-[2-[2-(2-phenoxazin-10-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;8,21,28,30-tetraoxa-4-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-5,24-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-27,32-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene?

The InChIKey is SFCUCFZGXYSLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H48N6.C62H44N4.C40H26N4O2.C27H19NO4.2C27H19NO2S2.2C26H18N2O4.C26H18N2O2S2/c1-4-25-49(26-5-1)79-67-46-19-16-34-55(67)61-43-22-40-58(70(61)79)52-31-10-13-37-64(52)73-76-74(65-38-14-11-32-53(65)59-41-23-44-62-56-35-17-20-47-68(56)80(71(59)62)50-27-6-2-7-28-50)78-75(77-73)66-39-15-12-33-54(66)60-42-24-45-63-57-36-18-21-48-69(57)81(72(60)63)51-29-8-3-9-30-51;1-64-57-34-13-10-25-46(57)52-31-16-28-49(60(52)64)41-20-5-4-19-40(41)39-37-55(44-23-8-6-21-42(44)50-29-17-32-53-47-26-11-14-35-58(47)65(2)61(50)53)63-56(38-39)45-24-9-7-22-43(45)51-30-18-33-54-48-27-12-15-36-59(48)66(3)62(51)54;1-3-15-30(43-32-17-5-9-21-36(32)45-37-22-10-6-18-33(37)43)27(13-1)29-25-26-41-40(42-29)28-14-2-4-16-31(28)44-34-19-7-11-23-38(34)46-39-24-12-8-20-35(39)44;1-4-24-20-7-16(1)12-29-13-18-3-6-26-22(9-18)23-10-19(11-28-27(23)32-26)15-30-14-17-2-5-25(31-24)21(20)8-17;1-5-23-20-9-16(1)12-29-13-18-3-7-25-22(11-18)27-26(32-25)8-4-19(28-27)15-30-14-17-2-6-24(31-23)21(20)10-17;1-4-24-20-7-16(1)12-29-13-17-3-6-26-22(9-17)23-10-19(28-11-27(23)32-26)15-30-14-18-2-5-25(31-24)21(20)8-18;1-5-21-19-9-15(1)11-29-13-17-3-7-23-25(27-17)26-24(32-23)8-4-18(28-26)14-30-12-16-2-6-22(31-21)20(19)10-16;1-3-23-19-5-15(1)11-29-13-17-7-21-22-8-18(28-10-26(22)32-25(21)9-27-17)14-30-12-16-2-4-24(31-23)20(19)6-16;1-3-23-19-5-15(1)11-29-13-17-7-21-22-8-18(10-28-26(22)32-25(21)27-9-17)14-30-12-16-2-4-24(31-23)20(19)6-16/h1-48H;4-38H,1-3H3;1-26H;3*1-11H,12-15H2;3*1-10H,11-14H2.

What are the key properties of 1-[2-[2,6-bis[2-(9-methylcarbazol-1-yl)phenyl]-4-pyridinyl]phenyl]-9-methylcarbazole;1-[2-[4,6-bis[2-(9-phenylcarbazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole;8,21-dioxa-28,30-dithia-5-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21-dioxa-28,30-dithia-27-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21-dioxa-28,30-dithia-4,25-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;10-[2-[2-(2-phenoxazin-10-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;8,21,28,30-tetraoxa-4-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-5,24-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-27,32-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene?

1-[2-[2,6-bis[2-(9-methylcarbazol-1-yl)phenyl]-4-pyridinyl]phenyl]-9-methylcarbazole;1-[2-[4,6-bis[2-(9-phenylcarbazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole;8,21-dioxa-28,30-dithia-5-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21-dioxa-28,30-dithia-27-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21-dioxa-28,30-dithia-4,25-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;10-[2-[2-(2-phenoxazin-10-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;8,21,28,30-tetraoxa-4-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-5,24-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-27,32-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene has a molecular weight of 5101.07 g/mol, XLogP of 86.91, 19 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2,6-bis[2-(9-methylcarbazol-1-yl)phenyl]-4-pyridinyl]phenyl]-9-methylcarbazole;1-[2-[4,6-bis[2-(9-phenylcarbazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole;8,21-dioxa-28,30-dithia-5-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21-dioxa-28,30-dithia-27-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21-dioxa-28,30-dithia-4,25-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;10-[2-[2-(2-phenoxazin-10-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;8,21,28,30-tetraoxa-4-azaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-5,24-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene;8,21,28,30-tetraoxa-27,32-diazaheptacyclo[21.3.1.12,6.13,26.110,14.113,16.115,19]dotriaconta-1(26),2,4,6(32),10(31),11,13,15,17,19(29),23(27),24-dodecaene is sourced from PubChem (CID 160817711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).