9-[14,23-di(carbazol-9-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]carbazole;3-[9,9,18,18,27,27-hexamethyl-14,23-bis(9-phenylcarbazol-3-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-9-phenylcarbazole;9-[9,9,18,18,27,27-hexamethyl-14,23-bis(3-phenylcarbazol-9-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-3-phenylcarbazole

C243H177N9 — CID 162229730

About 9-[14,23-di(carbazol-9-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]carbazole;3-[9,9,18,18,27,27-hexamethyl-14,23-bis(9-phenylcarbazol-3-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-9-phenylcarbazole;9-[9,9,18,18,27,27-hexamethyl-14,23-bis(3-phenylcarbazol-9-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-3-phenylcarbazole

9-[14,23-di(carbazol-9-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]carbazole;3-[9,9,18,18,27,27-hexamethyl-14,23-bis(9-phenylcarbazol-3-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-9-phenylcarbazole;9-[9,9,18,18,27,27-hexamethyl-14,23-bis(3-phenylcarbazol-9-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-3-phenylcarbazole (PubChem CID 162229730) has the molecular formula C243H177N9 and a molecular weight of 3223.15 g/mol. Its IUPAC name is 9-[14,23-di(carbazol-9-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]carbazole;3-[9,9,18,18,27,27-hexamethyl-14,23-bis(9-phenylcarbazol-3-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-9-phenylcarbazole;9-[9,9,18,18,27,27-hexamethyl-14,23-bis(3-phenylcarbazol-9-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-3-phenylcarbazole.

Molecular Properties

• Compound Name: 9-[14,23-di(carbazol-9-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]carbazole;3-[9,9,18,18,27,27-hexamethyl-14,23-bis(9-phenylcarbazol-3-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-9-phenylcarbazole;9-[9,9,18,18,27,27-hexamethyl-14,23-bis(3-phenylcarbazol-9-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-3-phenylcarbazole
• PubChem CID: 162229730
• Molecular Formula: C243H177N9
• Molecular Weight: 3223.15 g/mol
• Exact Mass: 3220.41
• IUPAC Name: 9-[14,23-di(carbazol-9-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]carbazole;3-[9,9,18,18,27,27-hexamethyl-14,23-bis(9-phenylcarbazol-3-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-9-phenylcarbazole;9-[9,9,18,18,27,27-hexamethyl-14,23-bis(3-phenylcarbazol-9-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-3-phenylcarbazole
• SMILES: CC1(C)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2-c2c1c1c(c3c2C(C)(C)c2ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc2-3)C(C)(C)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2-1.CC1(C)c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2-c2c1c1c(c3c2C(C)(C)c2ccc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)cc2-3)C(C)(C)c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2-1.CC1(C)c2ccc(-n3c4ccccc4c4ccccc43)cc2-c2c1c1c(c3c2C(C)(C)c2ccc(-n4c5ccccc5c5ccccc54)cc2-3)C(C)(C)c2ccc(-n3c4ccccc4c4ccccc43)cc2-1
• InChI: InChI=1S/2C87H63N3.C69H51N3/c1-85(2)70-40-37-58(88-73-31-19-16-28-61(73)64-46-55(34-43-76(64)88)52-22-10-7-11-23-52)49-67(70)79-82(85)80-68-50-59(89-74-32-20-17-29-62(74)65-47-56(35-44-77(65)89)53-24-12-8-13-25-53)38-41-71(68)86(3,4)84(80)81-69-51-60(39-42-72(69)87(5,6)83(79)81)90-75-33-21-18-30-63(75)66-48-57(36-45-78(66)90)54-26-14-9-15-27-54;1-85(2)70-40-34-52(55-37-43-76-64(46-55)61-28-16-19-31-73(61)88(76)58-22-10-7-11-23-58)49-67(70)79-82(85)80-68-50-53(56-38-44-77-65(47-56)62-29-17-20-32-74(62)89(77)59-24-12-8-13-25-59)35-41-71(68)86(3,4)84(80)81-69-51-54(36-42-72(69)87(5,6)83(79)81)57-39-45-78-66(48-57)63-30-18-21-33-75(63)90(78)60-26-14-9-15-27-60;1-67(2)52-34-31-40(70-55-25-13-7-19-43(55)44-20-8-14-26-56(44)70)37-49(52)61-64(67)62-50-38-41(71-57-27-15-9-21-45(57)46-22-10-16-28-58(46)71)32-35-53(50)68(3,4)66(62)63-51-39-42(33-36-54(51)69(5,6)65(61)63)72-59-29-17-11-23-47(59)48-24-12-18-30-60(48)72/h2*7-51H,1-6H3;7-39H,1-6H3
• InChIKey: ZVGIHOMXPICPJG-UHFFFAOYSA-N
• XLogP: 63.69
• TPSA: 44.37 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3223.15
LogP ≤ 5	63.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 9-[14,23-di(carbazol-9-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]carbazole;3-[9,9,18,18,27,27-hexamethyl-14,23-bis(9-phenylcarbazol-3-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-9-phenylcarbazole;9-[9,9,18,18,27,27-hexamethyl-14,23-bis(3-phenylcarbazol-9-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-3-phenylcarbazole?

The IUPAC name of 9-[14,23-di(carbazol-9-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]carbazole;3-[9,9,18,18,27,27-hexamethyl-14,23-bis(9-phenylcarbazol-3-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-9-phenylcarbazole;9-[9,9,18,18,27,27-hexamethyl-14,23-bis(3-phenylcarbazol-9-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-3-phenylcarbazole (CID 162229730) is 9-[14,23-di(carbazol-9-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]carbazole;3-[9,9,18,18,27,27-hexamethyl-14,23-bis(9-phenylcarbazol-3-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-9-phenylcarbazole;9-[9,9,18,18,27,27-hexamethyl-14,23-bis(3-phenylcarbazol-9-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-3-phenylcarbazole.

What is the SMILES notation for 9-[14,23-di(carbazol-9-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]carbazole;3-[9,9,18,18,27,27-hexamethyl-14,23-bis(9-phenylcarbazol-3-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-9-phenylcarbazole;9-[9,9,18,18,27,27-hexamethyl-14,23-bis(3-phenylcarbazol-9-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-3-phenylcarbazole?

The canonical SMILES for 9-[14,23-di(carbazol-9-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]carbazole;3-[9,9,18,18,27,27-hexamethyl-14,23-bis(9-phenylcarbazol-3-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-9-phenylcarbazole;9-[9,9,18,18,27,27-hexamethyl-14,23-bis(3-phenylcarbazol-9-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-3-phenylcarbazole is CC1(C)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2-c2c1c1c(c3c2C(C)(C)c2ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc2-3)C(C)(C)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2-1.CC1(C)c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2-c2c1c1c(c3c2C(C)(C)c2ccc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)cc2-3)C(C)(C)c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2-1.CC1(C)c2ccc(-n3c4ccccc4c4ccccc43)cc2-c2c1c1c(c3c2C(C)(C)c2ccc(-n4c5ccccc5c5ccccc54)cc2-3)C(C)(C)c2ccc(-n3c4ccccc4c4ccccc43)cc2-1.

What is the InChIKey of 9-[14,23-di(carbazol-9-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]carbazole;3-[9,9,18,18,27,27-hexamethyl-14,23-bis(9-phenylcarbazol-3-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-9-phenylcarbazole;9-[9,9,18,18,27,27-hexamethyl-14,23-bis(3-phenylcarbazol-9-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-3-phenylcarbazole?

The InChIKey is ZVGIHOMXPICPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C87H63N3.C69H51N3/c1-85(2)70-40-37-58(88-73-31-19-16-28-61(73)64-46-55(34-43-76(64)88)52-22-10-7-11-23-52)49-67(70)79-82(85)80-68-50-59(89-74-32-20-17-29-62(74)65-47-56(35-44-77(65)89)53-24-12-8-13-25-53)38-41-71(68)86(3,4)84(80)81-69-51-60(39-42-72(69)87(5,6)83(79)81)90-75-33-21-18-30-63(75)66-48-57(36-45-78(66)90)54-26-14-9-15-27-54;1-85(2)70-40-34-52(55-37-43-76-64(46-55)61-28-16-19-31-73(61)88(76)58-22-10-7-11-23-58)49-67(70)79-82(85)80-68-50-53(56-38-44-77-65(47-56)62-29-17-20-32-74(62)89(77)59-24-12-8-13-25-59)35-41-71(68)86(3,4)84(80)81-69-51-54(36-42-72(69)87(5,6)83(79)81)57-39-45-78-66(48-57)63-30-18-21-33-75(63)90(78)60-26-14-9-15-27-60;1-67(2)52-34-31-40(70-55-25-13-7-19-43(55)44-20-8-14-26-56(44)70)37-49(52)61-64(67)62-50-38-41(71-57-27-15-9-21-45(57)46-22-10-16-28-58(46)71)32-35-53(50)68(3,4)66(62)63-51-39-42(33-36-54(51)69(5,6)65(61)63)72-59-29-17-11-23-47(59)48-24-12-18-30-60(48)72/h2*7-51H,1-6H3;7-39H,1-6H3.

What are the key properties of 9-[14,23-di(carbazol-9-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]carbazole;3-[9,9,18,18,27,27-hexamethyl-14,23-bis(9-phenylcarbazol-3-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-9-phenylcarbazole;9-[9,9,18,18,27,27-hexamethyl-14,23-bis(3-phenylcarbazol-9-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-3-phenylcarbazole?

9-[14,23-di(carbazol-9-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]carbazole;3-[9,9,18,18,27,27-hexamethyl-14,23-bis(9-phenylcarbazol-3-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-9-phenylcarbazole;9-[9,9,18,18,27,27-hexamethyl-14,23-bis(3-phenylcarbazol-9-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-3-phenylcarbazole has a molecular weight of 3223.15 g/mol, XLogP of 63.69, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[14,23-di(carbazol-9-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]carbazole;3-[9,9,18,18,27,27-hexamethyl-14,23-bis(9-phenylcarbazol-3-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-9-phenylcarbazole;9-[9,9,18,18,27,27-hexamethyl-14,23-bis(3-phenylcarbazol-9-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-3-phenylcarbazole is sourced from PubChem (CID 162229730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).