9-[3-carbazol-9-yl-5-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]carbazole;9-[6-carbazol-9-yl-2-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)pyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-1,3,5-triazin-2-yl]carbazole;20-[3,5-di(carbazol-9-yl)phenyl]-23,23-dimethyl-19,21-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene

C221H145N15 — CID 157482084

About 9-[3-carbazol-9-yl-5-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]carbazole;9-[6-carbazol-9-yl-2-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)pyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-1,3,5-triazin-2-yl]carbazole;20-[3,5-di(carbazol-9-yl)phenyl]-23,23-dimethyl-19,21-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene

9-[3-carbazol-9-yl-5-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]carbazole;9-[6-carbazol-9-yl-2-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)pyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-1,3,5-triazin-2-yl]carbazole;20-[3,5-di(carbazol-9-yl)phenyl]-23,23-dimethyl-19,21-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene (PubChem CID 157482084) has the molecular formula C221H145N15 and a molecular weight of 3010.70 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]carbazole;9-[6-carbazol-9-yl-2-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)pyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-1,3,5-triazin-2-yl]carbazole;20-[3,5-di(carbazol-9-yl)phenyl]-23,23-dimethyl-19,21-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene.

Molecular Properties

• Compound Name: 9-[3-carbazol-9-yl-5-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]carbazole;9-[6-carbazol-9-yl-2-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)pyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-1,3,5-triazin-2-yl]carbazole;20-[3,5-di(carbazol-9-yl)phenyl]-23,23-dimethyl-19,21-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene
• PubChem CID: 157482084
• Molecular Formula: C221H145N15
• Molecular Weight: 3010.70 g/mol
• Exact Mass: 3008.18
• IUPAC Name: 9-[3-carbazol-9-yl-5-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]carbazole;9-[6-carbazol-9-yl-2-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)pyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-1,3,5-triazin-2-yl]carbazole;20-[3,5-di(carbazol-9-yl)phenyl]-23,23-dimethyl-19,21-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene
• SMILES: CC1(C)c2cc3c4ccccc4c4ccccc4c3cc2-c2cnc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)nc21.CC1(C)c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cc2-c2cc3c4ccccc4c4ccccc4c3cc21.CC1(C)c2ccc(-c3nc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)n3)cc2-c2cc3c4ccccc4c4ccccc4c3cc21.CC1(C)c2ccc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)cc2-c2cc3c4ccccc4c4ccccc4c3cc21
• InChI: InChI=1S/C57H38N2.2C55H36N4.C54H35N5/c1-57(2)51-28-27-35(31-49(51)50-33-47-41-17-5-3-15-39(41)40-16-4-6-18-42(40)48(47)34-52(50)57)36-29-37(58-53-23-11-7-19-43(53)44-20-8-12-24-54(44)58)32-38(30-36)59-55-25-13-9-21-45(55)46-22-10-14-26-56(46)59;1-55(2)48-31-45-39-18-6-4-16-37(39)36-15-3-5-17-38(36)44(45)30-46(48)47-32-56-54(57-53(47)55)33-27-34(58-49-23-11-7-19-40(49)41-20-8-12-24-50(41)58)29-35(28-33)59-51-25-13-9-21-42(51)43-22-10-14-26-52(43)59;1-55(2)46-28-27-33(29-44(46)45-30-42-36-17-5-3-15-34(36)35-16-4-6-18-37(35)43(42)31-47(45)55)54-56-52(58-48-23-11-7-19-38(48)39-20-8-12-24-49(39)58)32-53(57-54)59-50-25-13-9-21-40(50)41-22-10-14-26-51(41)59;1-54(2)45-28-27-32(29-43(45)44-30-41-35-17-5-3-15-33(35)34-16-4-6-18-36(34)42(41)31-46(44)54)51-55-52(58-47-23-11-7-19-37(47)38-20-8-12-24-48(38)58)57-53(56-51)59-49-25-13-9-21-39(49)40-22-10-14-26-50(40)59/h3-34H,1-2H3;2*3-32H,1-2H3;3-31H,1-2H3
• InChIKey: BWGVUTZEBNTICU-UHFFFAOYSA-N
• XLogP: 57.02
• TPSA: 129.67 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3010.70
LogP ≤ 5	57.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]carbazole;9-[6-carbazol-9-yl-2-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)pyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-1,3,5-triazin-2-yl]carbazole;20-[3,5-di(carbazol-9-yl)phenyl]-23,23-dimethyl-19,21-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene?

The IUPAC name of 9-[3-carbazol-9-yl-5-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]carbazole;9-[6-carbazol-9-yl-2-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)pyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-1,3,5-triazin-2-yl]carbazole;20-[3,5-di(carbazol-9-yl)phenyl]-23,23-dimethyl-19,21-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene (CID 157482084) is 9-[3-carbazol-9-yl-5-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]carbazole;9-[6-carbazol-9-yl-2-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)pyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-1,3,5-triazin-2-yl]carbazole;20-[3,5-di(carbazol-9-yl)phenyl]-23,23-dimethyl-19,21-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene.

What is the SMILES notation for 9-[3-carbazol-9-yl-5-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]carbazole;9-[6-carbazol-9-yl-2-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)pyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-1,3,5-triazin-2-yl]carbazole;20-[3,5-di(carbazol-9-yl)phenyl]-23,23-dimethyl-19,21-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene?

The canonical SMILES for 9-[3-carbazol-9-yl-5-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]carbazole;9-[6-carbazol-9-yl-2-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)pyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-1,3,5-triazin-2-yl]carbazole;20-[3,5-di(carbazol-9-yl)phenyl]-23,23-dimethyl-19,21-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene is CC1(C)c2cc3c4ccccc4c4ccccc4c3cc2-c2cnc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)nc21.CC1(C)c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cc2-c2cc3c4ccccc4c4ccccc4c3cc21.CC1(C)c2ccc(-c3nc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)n3)cc2-c2cc3c4ccccc4c4ccccc4c3cc21.CC1(C)c2ccc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)cc2-c2cc3c4ccccc4c4ccccc4c3cc21.

What is the InChIKey of 9-[3-carbazol-9-yl-5-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]carbazole;9-[6-carbazol-9-yl-2-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)pyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-1,3,5-triazin-2-yl]carbazole;20-[3,5-di(carbazol-9-yl)phenyl]-23,23-dimethyl-19,21-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene?

The InChIKey is BWGVUTZEBNTICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N2.2C55H36N4.C54H35N5/c1-57(2)51-28-27-35(31-49(51)50-33-47-41-17-5-3-15-39(41)40-16-4-6-18-42(40)48(47)34-52(50)57)36-29-37(58-53-23-11-7-19-43(53)44-20-8-12-24-54(44)58)32-38(30-36)59-55-25-13-9-21-45(55)46-22-10-14-26-56(46)59;1-55(2)48-31-45-39-18-6-4-16-37(39)36-15-3-5-17-38(36)44(45)30-46(48)47-32-56-54(57-53(47)55)33-27-34(58-49-23-11-7-19-40(49)41-20-8-12-24-50(41)58)29-35(28-33)59-51-25-13-9-21-42(51)43-22-10-14-26-52(43)59;1-55(2)46-28-27-33(29-44(46)45-30-42-36-17-5-3-15-34(36)35-16-4-6-18-37(35)43(42)31-47(45)55)54-56-52(58-48-23-11-7-19-38(48)39-20-8-12-24-49(39)58)32-53(57-54)59-50-25-13-9-21-40(50)41-22-10-14-26-51(41)59;1-54(2)45-28-27-32(29-43(45)44-30-41-35-17-5-3-15-33(35)34-16-4-6-18-36(34)42(41)31-46(44)54)51-55-52(58-47-23-11-7-19-37(47)38-20-8-12-24-48(38)58)57-53(56-51)59-49-25-13-9-21-39(49)40-22-10-14-26-50(40)59/h3-34H,1-2H3;2*3-32H,1-2H3;3-31H,1-2H3.

What are the key properties of 9-[3-carbazol-9-yl-5-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]carbazole;9-[6-carbazol-9-yl-2-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)pyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-1,3,5-triazin-2-yl]carbazole;20-[3,5-di(carbazol-9-yl)phenyl]-23,23-dimethyl-19,21-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene?

9-[3-carbazol-9-yl-5-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]carbazole;9-[6-carbazol-9-yl-2-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)pyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-1,3,5-triazin-2-yl]carbazole;20-[3,5-di(carbazol-9-yl)phenyl]-23,23-dimethyl-19,21-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene has a molecular weight of 3010.70 g/mol, XLogP of 57.02, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-carbazol-9-yl-5-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]carbazole;9-[6-carbazol-9-yl-2-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)pyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-1,3,5-triazin-2-yl]carbazole;20-[3,5-di(carbazol-9-yl)phenyl]-23,23-dimethyl-19,21-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene is sourced from PubChem (CID 157482084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).