6-[10,22-bis(4b,5,5,7,7,8a-hexamethyl-9-phenyl-6,8-dihydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-2,2,4,4,4a,9a-hexamethyl-9-phenyl-1,3-dihydrocarbazole;6-[10,22-bis(4b,8,8,8a-tetramethyl-9-phenyl-6,7-dihydro-5H-carbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,1,4a,9a-tetramethyl-9-phenyl-3,4-dihydro-2H-carbazole;6-[10,22-bis(4b,8,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,4a,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole

C315H297N9 — CID 158039730

IUPAC6-[10,22-bis(4b,5,5,7,7,8a-hexamethyl-9-phenyl-6,8-dihydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-2,2,4,4,4a,9a-hexamethyl-9-phenyl-1,3-dihydrocarbazole;6-[10,22-bis(4b,8,8,8a-tetramethyl-9-phenyl-6,7-dihydro-5H-carbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,1,4a,9a-tetramethyl-9-phenyl-3,4-dihydro-2H-carbazole;6-[10,22-bis(4b,8,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,4a,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole
SMILESCC1(C)CC(C)(C)C2(C)c3cc(-c4ccc5c6c(-c7ccccc7)c7c8ccc(-c9ccc%10c(c9)C9(C)C(C)(C)CC(C)(C)CC9(C)N%10c9ccccc9)c9c(-c%10ccc%11c(c%10)C%10(C)C(C)(C)CC(C)(C)CC%10(C)N%11c%10ccccc%10)ccc(c7c(-c7ccccc7)c6c6cccc4c65)c98)ccc3N(c3ccccc3)C2(C)C1.CC1(C)CCCC2(C)c3cc(-c4ccc5c6c(-c7ccccc7)c7c8ccc(-c9ccc%10c(c9)C9(C)CCCC(C)(C)C9(C)N%10c9ccccc9)c9c(-c%10ccc%11c(c%10)C%10(C)CCCC(C)(C)C%10(C)N%11c%10ccccc%10)ccc(c7c(-c7ccccc7)c6c6cccc4c65)c98)ccc3N(c3ccccc3)C12C.CC1CCCC2(C)c3cc(-c4ccc5c6c(-c7ccccc7)c7c8ccc(-c9ccc%10c(c9)C9(C)CCCC(C)C9(C)N%10c9ccccc9)c9c(-c%10ccc%11c(c%10)C%10(C)CCCC(C)C%10(C)N%11c%10ccccc%10)ccc(c7c(-c7ccccc7)c6c6cccc4c65)c98)ccc3N(c3ccccc3)C12C
InChIInChI=1S/C110H109N3.C104H97N3.C101H91N3/c1-99(2)62-102(7,8)108(16)84-59-70(47-56-87(84)111(105(108,13)65-99)73-39-28-21-29-40-73)76-50-53-81-92-79(76)45-34-46-80(92)95-90(68-35-24-19-25-36-68)97-82-54-51-77(71-48-57-88-85(60-71)109(17)103(9,10)63-100(3,4)66-106(109,14)112(88)74-41-30-22-31-42-74)93-78(52-55-83(94(82)93)98(97)91(96(81)95)69-37-26-20-27-38-69)72-49-58-89-86(61-72)110(18)104(11,12)64-101(5,6)67-107(110,15)113(89)75-43-32-23-33-44-75;1-96(2)56-29-59-99(7)81-62-67(44-53-84(81)105(102(96,99)10)70-36-22-15-23-37-70)73-47-50-78-89-76(73)42-28-43-77(89)92-87(65-32-18-13-19-33-65)94-79-51-48-74(68-45-54-85-82(63-68)100(8)60-30-57-97(3,4)103(100,11)106(85)71-38-24-16-25-39-71)90-75(49-52-80(91(79)90)95(94)88(93(78)92)66-34-20-14-21-35-66)69-46-55-86-83(64-69)101(9)61-31-58-98(5,6)104(101,12)107(86)72-40-26-17-27-41-72;1-62-29-26-56-96(4)81-59-67(44-53-84(81)102(99(62,96)7)70-36-19-12-20-37-70)73-47-50-78-89-76(73)42-25-43-77(89)92-87(65-32-15-10-16-33-65)94-79-51-48-74(68-45-54-85-82(60-68)97(5)57-27-30-63(2)100(97,8)103(85)71-38-21-13-22-39-71)90-75(49-52-80(91(79)90)95(94)88(93(78)92)66-34-17-11-18-35-66)69-46-55-86-83(61-69)98(6)58-28-31-64(3)101(98,9)104(86)72-40-23-14-24-41-72/h19-61H,62-67H2,1-18H3;13-28,32-55,62-64H,29-31,56-61H2,1-12H3;10-25,32-55,59-64H,26-31,56-58H2,1-9H3
InChIKeyFIEVLFPLLDXGCG-UHFFFAOYSA-N
MW4208.90 g/mol
LogP87.59
Rot. Bonds24

About 6-[10,22-bis(4b,5,5,7,7,8a-hexamethyl-9-phenyl-6,8-dihydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-2,2,4,4,4a,9a-hexamethyl-9-phenyl-1,3-dihydrocarbazole;6-[10,22-bis(4b,8,8,8a-tetramethyl-9-phenyl-6,7-dihydro-5H-carbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,1,4a,9a-tetramethyl-9-phenyl-3,4-dihydro-2H-carbazole;6-[10,22-bis(4b,8,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,4a,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole

6-[10,22-bis(4b,5,5,7,7,8a-hexamethyl-9-phenyl-6,8-dihydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-2,2,4,4,4a,9a-hexamethyl-9-phenyl-1,3-dihydrocarbazole;6-[10,22-bis(4b,8,8,8a-tetramethyl-9-phenyl-6,7-dihydro-5H-carbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,1,4a,9a-tetramethyl-9-phenyl-3,4-dihydro-2H-carbazole;6-[10,22-bis(4b,8,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,4a,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole (PubChem CID 158039730) has the molecular formula C315H297N9 and a molecular weight of 4208.90 g/mol. Its IUPAC name is 6-[10,22-bis(4b,5,5,7,7,8a-hexamethyl-9-phenyl-6,8-dihydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-2,2,4,4,4a,9a-hexamethyl-9-phenyl-1,3-dihydrocarbazole;6-[10,22-bis(4b,8,8,8a-tetramethyl-9-phenyl-6,7-dihydro-5H-carbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,1,4a,9a-tetramethyl-9-phenyl-3,4-dihydro-2H-carbazole;6-[10,22-bis(4b,8,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,4a,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole.

Molecular Properties

Compound Name6-[10,22-bis(4b,5,5,7,7,8a-hexamethyl-9-phenyl-6,8-dihydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-2,2,4,4,4a,9a-hexamethyl-9-phenyl-1,3-dihydrocarbazole;6-[10,22-bis(4b,8,8,8a-tetramethyl-9-phenyl-6,7-dihydro-5H-carbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,1,4a,9a-tetramethyl-9-phenyl-3,4-dihydro-2H-carbazole;6-[10,22-bis(4b,8,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,4a,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole
PubChem CID158039730
Molecular FormulaC315H297N9
Molecular Weight4208.90 g/mol
Exact Mass4205.35
IUPAC Name6-[10,22-bis(4b,5,5,7,7,8a-hexamethyl-9-phenyl-6,8-dihydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-2,2,4,4,4a,9a-hexamethyl-9-phenyl-1,3-dihydrocarbazole;6-[10,22-bis(4b,8,8,8a-tetramethyl-9-phenyl-6,7-dihydro-5H-carbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,1,4a,9a-tetramethyl-9-phenyl-3,4-dihydro-2H-carbazole;6-[10,22-bis(4b,8,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,4a,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole
SMILESCC1(C)CC(C)(C)C2(C)c3cc(-c4ccc5c6c(-c7ccccc7)c7c8ccc(-c9ccc%10c(c9)C9(C)C(C)(C)CC(C)(C)CC9(C)N%10c9ccccc9)c9c(-c%10ccc%11c(c%10)C%10(C)C(C)(C)CC(C)(C)CC%10(C)N%11c%10ccccc%10)ccc(c7c(-c7ccccc7)c6c6cccc4c65)c98)ccc3N(c3ccccc3)C2(C)C1.CC1(C)CCCC2(C)c3cc(-c4ccc5c6c(-c7ccccc7)c7c8ccc(-c9ccc%10c(c9)C9(C)CCCC(C)(C)C9(C)N%10c9ccccc9)c9c(-c%10ccc%11c(c%10)C%10(C)CCCC(C)(C)C%10(C)N%11c%10ccccc%10)ccc(c7c(-c7ccccc7)c6c6cccc4c65)c98)ccc3N(c3ccccc3)C12C.CC1CCCC2(C)c3cc(-c4ccc5c6c(-c7ccccc7)c7c8ccc(-c9ccc%10c(c9)C9(C)CCCC(C)C9(C)N%10c9ccccc9)c9c(-c%10ccc%11c(c%10)C%10(C)CCCC(C)C%10(C)N%11c%10ccccc%10)ccc(c7c(-c7ccccc7)c6c6cccc4c65)c98)ccc3N(c3ccccc3)C12C
InChIInChI=1S/C110H109N3.C104H97N3.C101H91N3/c1-99(2)62-102(7,8)108(16)84-59-70(47-56-87(84)111(105(108,13)65-99)73-39-28-21-29-40-73)76-50-53-81-92-79(76)45-34-46-80(92)95-90(68-35-24-19-25-36-68)97-82-54-51-77(71-48-57-88-85(60-71)109(17)103(9,10)63-100(3,4)66-106(109,14)112(88)74-41-30-22-31-42-74)93-78(52-55-83(94(82)93)98(97)91(96(81)95)69-37-26-20-27-38-69)72-49-58-89-86(61-72)110(18)104(11,12)64-101(5,6)67-107(110,15)113(89)75-43-32-23-33-44-75;1-96(2)56-29-59-99(7)81-62-67(44-53-84(81)105(102(96,99)10)70-36-22-15-23-37-70)73-47-50-78-89-76(73)42-28-43-77(89)92-87(65-32-18-13-19-33-65)94-79-51-48-74(68-45-54-85-82(63-68)100(8)60-30-57-97(3,4)103(100,11)106(85)71-38-24-16-25-39-71)90-75(49-52-80(91(79)90)95(94)88(93(78)92)66-34-20-14-21-35-66)69-46-55-86-83(64-69)101(9)61-31-58-98(5,6)104(101,12)107(86)72-40-26-17-27-41-72;1-62-29-26-56-96(4)81-59-67(44-53-84(81)102(99(62,96)7)70-36-19-12-20-37-70)73-47-50-78-89-76(73)42-25-43-77(89)92-87(65-32-15-10-16-33-65)94-79-51-48-74(68-45-54-85-82(60-68)97(5)57-27-30-63(2)100(97,8)103(85)71-38-21-13-22-39-71)90-75(49-52-80(91(79)90)95(94)88(93(78)92)66-34-17-11-18-35-66)69-46-55-86-83(61-69)98(6)58-28-31-64(3)101(98,9)104(86)72-40-23-14-24-41-72/h19-61H,62-67H2,1-18H3;13-28,32-55,62-64H,29-31,56-61H2,1-12H3;10-25,32-55,59-64H,26-31,56-58H2,1-9H3
InChIKeyFIEVLFPLLDXGCG-UHFFFAOYSA-N
XLogP87.59
TPSA29.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds24
Heavy Atoms324
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004208.90
LogP ≤ 587.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[10,22-bis(4b,5,5,7,7,8a-hexamethyl-9-phenyl-6,8-dihydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-2,2,4,4,4a,9a-hexamethyl-9-phenyl-1,3-dihydrocarbazole;6-[10,22-bis(4b,8,8,8a-tetramethyl-9-phenyl-6,7-dihydro-5H-carbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,1,4a,9a-tetramethyl-9-phenyl-3,4-dihydro-2H-carbazole;6-[10,22-bis(4b,8,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,4a,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[10,22-bis(4b,5,5,7,7,8a-hexamethyl-9-phenyl-6,8-dihydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-2,2,4,4,4a,9a-hexamethyl-9-phenyl-1,3-dihydrocarbazole;6-[10,22-bis(4b,8,8,8a-tetramethyl-9-phenyl-6,7-dihydro-5H-carbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,1,4a,9a-tetramethyl-9-phenyl-3,4-dihydro-2H-carbazole;6-[10,22-bis(4b,8,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,4a,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole?
The IUPAC name of 6-[10,22-bis(4b,5,5,7,7,8a-hexamethyl-9-phenyl-6,8-dihydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-2,2,4,4,4a,9a-hexamethyl-9-phenyl-1,3-dihydrocarbazole;6-[10,22-bis(4b,8,8,8a-tetramethyl-9-phenyl-6,7-dihydro-5H-carbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,1,4a,9a-tetramethyl-9-phenyl-3,4-dihydro-2H-carbazole;6-[10,22-bis(4b,8,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,4a,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole (CID 158039730) is 6-[10,22-bis(4b,5,5,7,7,8a-hexamethyl-9-phenyl-6,8-dihydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-2,2,4,4,4a,9a-hexamethyl-9-phenyl-1,3-dihydrocarbazole;6-[10,22-bis(4b,8,8,8a-tetramethyl-9-phenyl-6,7-dihydro-5H-carbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,1,4a,9a-tetramethyl-9-phenyl-3,4-dihydro-2H-carbazole;6-[10,22-bis(4b,8,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,4a,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole.
What is the SMILES notation for 6-[10,22-bis(4b,5,5,7,7,8a-hexamethyl-9-phenyl-6,8-dihydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-2,2,4,4,4a,9a-hexamethyl-9-phenyl-1,3-dihydrocarbazole;6-[10,22-bis(4b,8,8,8a-tetramethyl-9-phenyl-6,7-dihydro-5H-carbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,1,4a,9a-tetramethyl-9-phenyl-3,4-dihydro-2H-carbazole;6-[10,22-bis(4b,8,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,4a,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole?
The canonical SMILES for 6-[10,22-bis(4b,5,5,7,7,8a-hexamethyl-9-phenyl-6,8-dihydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-2,2,4,4,4a,9a-hexamethyl-9-phenyl-1,3-dihydrocarbazole;6-[10,22-bis(4b,8,8,8a-tetramethyl-9-phenyl-6,7-dihydro-5H-carbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,1,4a,9a-tetramethyl-9-phenyl-3,4-dihydro-2H-carbazole;6-[10,22-bis(4b,8,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,4a,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole is CC1(C)CC(C)(C)C2(C)c3cc(-c4ccc5c6c(-c7ccccc7)c7c8ccc(-c9ccc%10c(c9)C9(C)C(C)(C)CC(C)(C)CC9(C)N%10c9ccccc9)c9c(-c%10ccc%11c(c%10)C%10(C)C(C)(C)CC(C)(C)CC%10(C)N%11c%10ccccc%10)ccc(c7c(-c7ccccc7)c6c6cccc4c65)c98)ccc3N(c3ccccc3)C2(C)C1.CC1(C)CCCC2(C)c3cc(-c4ccc5c6c(-c7ccccc7)c7c8ccc(-c9ccc%10c(c9)C9(C)CCCC(C)(C)C9(C)N%10c9ccccc9)c9c(-c%10ccc%11c(c%10)C%10(C)CCCC(C)(C)C%10(C)N%11c%10ccccc%10)ccc(c7c(-c7ccccc7)c6c6cccc4c65)c98)ccc3N(c3ccccc3)C12C.CC1CCCC2(C)c3cc(-c4ccc5c6c(-c7ccccc7)c7c8ccc(-c9ccc%10c(c9)C9(C)CCCC(C)C9(C)N%10c9ccccc9)c9c(-c%10ccc%11c(c%10)C%10(C)CCCC(C)C%10(C)N%11c%10ccccc%10)ccc(c7c(-c7ccccc7)c6c6cccc4c65)c98)ccc3N(c3ccccc3)C12C.
What is the InChIKey of 6-[10,22-bis(4b,5,5,7,7,8a-hexamethyl-9-phenyl-6,8-dihydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-2,2,4,4,4a,9a-hexamethyl-9-phenyl-1,3-dihydrocarbazole;6-[10,22-bis(4b,8,8,8a-tetramethyl-9-phenyl-6,7-dihydro-5H-carbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,1,4a,9a-tetramethyl-9-phenyl-3,4-dihydro-2H-carbazole;6-[10,22-bis(4b,8,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,4a,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole?
The InChIKey is FIEVLFPLLDXGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H109N3.C104H97N3.C101H91N3/c1-99(2)62-102(7,8)108(16)84-59-70(47-56-87(84)111(105(108,13)65-99)73-39-28-21-29-40-73)76-50-53-81-92-79(76)45-34-46-80(92)95-90(68-35-24-19-25-36-68)97-82-54-51-77(71-48-57-88-85(60-71)109(17)103(9,10)63-100(3,4)66-106(109,14)112(88)74-41-30-22-31-42-74)93-78(52-55-83(94(82)93)98(97)91(96(81)95)69-37-26-20-27-38-69)72-49-58-89-86(61-72)110(18)104(11,12)64-101(5,6)67-107(110,15)113(89)75-43-32-23-33-44-75;1-96(2)56-29-59-99(7)81-62-67(44-53-84(81)105(102(96,99)10)70-36-22-15-23-37-70)73-47-50-78-89-76(73)42-28-43-77(89)92-87(65-32-18-13-19-33-65)94-79-51-48-74(68-45-54-85-82(63-68)100(8)60-30-57-97(3,4)103(100,11)106(85)71-38-24-16-25-39-71)90-75(49-52-80(91(79)90)95(94)88(93(78)92)66-34-20-14-21-35-66)69-46-55-86-83(64-69)101(9)61-31-58-98(5,6)104(101,12)107(86)72-40-26-17-27-41-72;1-62-29-26-56-96(4)81-59-67(44-53-84(81)102(99(62,96)7)70-36-19-12-20-37-70)73-47-50-78-89-76(73)42-25-43-77(89)92-87(65-32-15-10-16-33-65)94-79-51-48-74(68-45-54-85-82(60-68)97(5)57-27-30-63(2)100(97,8)103(85)71-38-21-13-22-39-71)90-75(49-52-80(91(79)90)95(94)88(93(78)92)66-34-17-11-18-35-66)69-46-55-86-83(61-69)98(6)58-28-31-64(3)101(98,9)104(86)72-40-23-14-24-41-72/h19-61H,62-67H2,1-18H3;13-28,32-55,62-64H,29-31,56-61H2,1-12H3;10-25,32-55,59-64H,26-31,56-58H2,1-9H3.
What are the key properties of 6-[10,22-bis(4b,5,5,7,7,8a-hexamethyl-9-phenyl-6,8-dihydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-2,2,4,4,4a,9a-hexamethyl-9-phenyl-1,3-dihydrocarbazole;6-[10,22-bis(4b,8,8,8a-tetramethyl-9-phenyl-6,7-dihydro-5H-carbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,1,4a,9a-tetramethyl-9-phenyl-3,4-dihydro-2H-carbazole;6-[10,22-bis(4b,8,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,4a,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole?
6-[10,22-bis(4b,5,5,7,7,8a-hexamethyl-9-phenyl-6,8-dihydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-2,2,4,4,4a,9a-hexamethyl-9-phenyl-1,3-dihydrocarbazole;6-[10,22-bis(4b,8,8,8a-tetramethyl-9-phenyl-6,7-dihydro-5H-carbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,1,4a,9a-tetramethyl-9-phenyl-3,4-dihydro-2H-carbazole;6-[10,22-bis(4b,8,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,4a,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole has a molecular weight of 4208.90 g/mol, XLogP of 87.59, 24 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10,22-bis(4b,5,5,7,7,8a-hexamethyl-9-phenyl-6,8-dihydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-2,2,4,4,4a,9a-hexamethyl-9-phenyl-1,3-dihydrocarbazole;6-[10,22-bis(4b,8,8,8a-tetramethyl-9-phenyl-6,7-dihydro-5H-carbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,1,4a,9a-tetramethyl-9-phenyl-3,4-dihydro-2H-carbazole;6-[10,22-bis(4b,8,8a-trimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5,7,9,11,13(26),14,17,19,21,23-tridecaenyl]-1,4a,9a-trimethyl-9-phenyl-1,2,3,4-tetrahydrocarbazole is sourced from PubChem (CID 158039730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).