N-(9,9-dimethylfluoren-2-yl)-21,21,22,22-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18-decaen-18-amine;2,4-diphenyl-6-[3-(9,9,10,10-tetramethyl-6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)phenyl]-1,3,5-triazine;9-[4-(21,21,22,22-tetramethyl-18-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18-decaenyl)phenyl]carbazole

C138H113N5 — CID 163931712

About N-(9,9-dimethylfluoren-2-yl)-21,21,22,22-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18-decaen-18-amine;2,4-diphenyl-6-[3-(9,9,10,10-tetramethyl-6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)phenyl]-1,3,5-triazine;9-[4-(21,21,22,22-tetramethyl-18-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18-decaenyl)phenyl]carbazole

N-(9,9-dimethylfluoren-2-yl)-21,21,22,22-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18-decaen-18-amine;2,4-diphenyl-6-[3-(9,9,10,10-tetramethyl-6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)phenyl]-1,3,5-triazine;9-[4-(21,21,22,22-tetramethyl-18-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18-decaenyl)phenyl]carbazole (PubChem CID 163931712) has the molecular formula C138H113N5 and a molecular weight of 1841.46 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-21,21,22,22-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18-decaen-18-amine;2,4-diphenyl-6-[3-(9,9,10,10-tetramethyl-6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)phenyl]-1,3,5-triazine;9-[4-(21,21,22,22-tetramethyl-18-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18-decaenyl)phenyl]carbazole.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-21,21,22,22-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18-decaen-18-amine;2,4-diphenyl-6-[3-(9,9,10,10-tetramethyl-6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)phenyl]-1,3,5-triazine;9-[4-(21,21,22,22-tetramethyl-18-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18-decaenyl)phenyl]carbazole
• PubChem CID: 163931712
• Molecular Formula: C138H113N5
• Molecular Weight: 1841.46 g/mol
• Exact Mass: 1839.90
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-21,21,22,22-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18-decaen-18-amine;2,4-diphenyl-6-[3-(9,9,10,10-tetramethyl-6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)phenyl]-1,3,5-triazine;9-[4-(21,21,22,22-tetramethyl-18-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18-decaenyl)phenyl]carbazole
• SMILES: CC1(C)c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2-c2ccc3ccc4ccccc4c3c2C1(C)C.CC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc2-c2c(ccc3ccc4ccccc4c23)C1(C)C.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)C(C)(C)c3c-4ccc4ccc5ccccc5c34)cc21
• InChI: InChI=1S/C47H37N3.C47H41N.C44H35N/c1-46(2)39-27-25-31-23-22-30-14-11-12-21-37(30)41(31)42(39)38-26-24-35(29-40(38)47(46,3)4)34-19-13-20-36(28-34)45-49-43(32-15-7-5-8-16-32)48-44(50-45)33-17-9-6-10-18-33;1-45(2)40-19-13-12-18-36(40)37-26-23-33(28-41(37)45)48(32-15-8-7-9-16-32)34-24-27-38-39-25-22-31-21-20-30-14-10-11-17-35(30)43(31)44(39)47(5,6)46(3,4)42(38)29-34;1-43(2)38-27-31(28-19-23-32(24-20-28)45-39-15-9-7-13-35(39)36-14-8-10-16-40(36)45)22-25-34(38)37-26-21-30-18-17-29-11-5-6-12-33(29)41(30)42(37)44(43,3)4/h5-29H,1-4H3;7-29H,1-6H3;5-27H,1-4H3
• InChIKey: RJEYBLRNEXUBHK-UHFFFAOYSA-N
• XLogP: 37.08
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1841.46
LogP ≤ 5	37.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-21,21,22,22-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18-decaen-18-amine;2,4-diphenyl-6-[3-(9,9,10,10-tetramethyl-6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)phenyl]-1,3,5-triazine;9-[4-(21,21,22,22-tetramethyl-18-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18-decaenyl)phenyl]carbazole?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-21,21,22,22-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18-decaen-18-amine;2,4-diphenyl-6-[3-(9,9,10,10-tetramethyl-6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)phenyl]-1,3,5-triazine;9-[4-(21,21,22,22-tetramethyl-18-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18-decaenyl)phenyl]carbazole (CID 163931712) is N-(9,9-dimethylfluoren-2-yl)-21,21,22,22-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18-decaen-18-amine;2,4-diphenyl-6-[3-(9,9,10,10-tetramethyl-6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)phenyl]-1,3,5-triazine;9-[4-(21,21,22,22-tetramethyl-18-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18-decaenyl)phenyl]carbazole.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-21,21,22,22-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18-decaen-18-amine;2,4-diphenyl-6-[3-(9,9,10,10-tetramethyl-6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)phenyl]-1,3,5-triazine;9-[4-(21,21,22,22-tetramethyl-18-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18-decaenyl)phenyl]carbazole?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-21,21,22,22-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18-decaen-18-amine;2,4-diphenyl-6-[3-(9,9,10,10-tetramethyl-6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)phenyl]-1,3,5-triazine;9-[4-(21,21,22,22-tetramethyl-18-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18-decaenyl)phenyl]carbazole is CC1(C)c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2-c2ccc3ccc4ccccc4c3c2C1(C)C.CC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc2-c2c(ccc3ccc4ccccc4c23)C1(C)C.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)C(C)(C)c3c-4ccc4ccc5ccccc5c34)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-21,21,22,22-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18-decaen-18-amine;2,4-diphenyl-6-[3-(9,9,10,10-tetramethyl-6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)phenyl]-1,3,5-triazine;9-[4-(21,21,22,22-tetramethyl-18-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18-decaenyl)phenyl]carbazole?

The InChIKey is RJEYBLRNEXUBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H37N3.C47H41N.C44H35N/c1-46(2)39-27-25-31-23-22-30-14-11-12-21-37(30)41(31)42(39)38-26-24-35(29-40(38)47(46,3)4)34-19-13-20-36(28-34)45-49-43(32-15-7-5-8-16-32)48-44(50-45)33-17-9-6-10-18-33;1-45(2)40-19-13-12-18-36(40)37-26-23-33(28-41(37)45)48(32-15-8-7-9-16-32)34-24-27-38-39-25-22-31-21-20-30-14-10-11-17-35(30)43(31)44(39)47(5,6)46(3,4)42(38)29-34;1-43(2)38-27-31(28-19-23-32(24-20-28)45-39-15-9-7-13-35(39)36-14-8-10-16-40(36)45)22-25-34(38)37-26-21-30-18-17-29-11-5-6-12-33(29)41(30)42(37)44(43,3)4/h5-29H,1-4H3;7-29H,1-6H3;5-27H,1-4H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-21,21,22,22-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18-decaen-18-amine;2,4-diphenyl-6-[3-(9,9,10,10-tetramethyl-6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)phenyl]-1,3,5-triazine;9-[4-(21,21,22,22-tetramethyl-18-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18-decaenyl)phenyl]carbazole?

N-(9,9-dimethylfluoren-2-yl)-21,21,22,22-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18-decaen-18-amine;2,4-diphenyl-6-[3-(9,9,10,10-tetramethyl-6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)phenyl]-1,3,5-triazine;9-[4-(21,21,22,22-tetramethyl-18-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18-decaenyl)phenyl]carbazole has a molecular weight of 1841.46 g/mol, XLogP of 37.08, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-21,21,22,22-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18-decaen-18-amine;2,4-diphenyl-6-[3-(9,9,10,10-tetramethyl-6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)phenyl]-1,3,5-triazine;9-[4-(21,21,22,22-tetramethyl-18-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18-decaenyl)phenyl]carbazole is sourced from PubChem (CID 163931712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).