9-(4-carbazol-9-ylphenyl)-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene;N,N-diphenyl-4-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)aniline;2,3,4-trifluoro-N-phenyl-N-[4-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]aniline

C129H78F3N9 — CID 160896470

About 9-(4-carbazol-9-ylphenyl)-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene;N,N-diphenyl-4-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)aniline;2,3,4-trifluoro-N-phenyl-N-[4-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]aniline

9-(4-carbazol-9-ylphenyl)-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene;N,N-diphenyl-4-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)aniline;2,3,4-trifluoro-N-phenyl-N-[4-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]aniline (PubChem CID 160896470) has the molecular formula C129H78F3N9 and a molecular weight of 1811.10 g/mol. Its IUPAC name is 9-(4-carbazol-9-ylphenyl)-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene;N,N-diphenyl-4-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)aniline;2,3,4-trifluoro-N-phenyl-N-[4-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]aniline.

Molecular Properties

• Compound Name: 9-(4-carbazol-9-ylphenyl)-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene;N,N-diphenyl-4-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)aniline;2,3,4-trifluoro-N-phenyl-N-[4-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]aniline
• PubChem CID: 160896470
• Molecular Formula: C129H78F3N9
• Molecular Weight: 1811.10 g/mol
• Exact Mass: 1809.63
• IUPAC Name: 9-(4-carbazol-9-ylphenyl)-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene;N,N-diphenyl-4-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)aniline;2,3,4-trifluoro-N-phenyl-N-[4-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]aniline
• SMILES: Fc1ccc(N(c2ccccc2)c2ccc(-c3ccc4ccc5c6c(ccc3c46)cc3c5c4ncccc4n3-c3ccccc3)cc2)c(F)c1F.c1cc2ccc3cc4c(c5ccc(c1)c2c35)c1ncccc1n4-c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4ccc5c6c(ccc3c46)cc3c5c4ncccc4n3-c3ccccc3)cc2)cc1
• InChI: InChI=1S/C45H26F3N3.C45H29N3.C39H23N3/c46-36-23-24-37(44(48)43(36)47)50(30-8-3-1-4-9-30)32-18-13-27(14-19-32)33-20-15-28-16-22-35-41-29(17-21-34(33)40(28)41)26-39-42(35)45-38(12-7-25-49-45)51(39)31-10-5-2-6-11-31;1-4-11-33(12-5-1)47(34-13-6-2-7-14-34)36-23-18-30(19-24-36)37-25-20-31-21-27-39-43-32(22-26-38(37)42(31)43)29-41-44(39)45-40(17-10-28-46-45)48(41)35-15-8-3-9-16-35;1-3-11-32-29(9-1)30-10-2-4-12-33(30)41(32)27-17-19-28(20-18-27)42-34-13-6-22-40-39(34)38-31-21-16-25-8-5-7-24-14-15-26(23-35(38)42)37(31)36(24)25/h1-26H;1-29H;1-23H
• InChIKey: SOYBEVDICFSVEL-UHFFFAOYSA-N
• XLogP: 35.02
• TPSA: 64.87 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1811.10
LogP ≤ 5	35.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(4-carbazol-9-ylphenyl)-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene;N,N-diphenyl-4-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)aniline;2,3,4-trifluoro-N-phenyl-N-[4-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]aniline?

The IUPAC name of 9-(4-carbazol-9-ylphenyl)-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene;N,N-diphenyl-4-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)aniline;2,3,4-trifluoro-N-phenyl-N-[4-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]aniline (CID 160896470) is 9-(4-carbazol-9-ylphenyl)-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene;N,N-diphenyl-4-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)aniline;2,3,4-trifluoro-N-phenyl-N-[4-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]aniline.

What is the SMILES notation for 9-(4-carbazol-9-ylphenyl)-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene;N,N-diphenyl-4-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)aniline;2,3,4-trifluoro-N-phenyl-N-[4-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]aniline?

The canonical SMILES for 9-(4-carbazol-9-ylphenyl)-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene;N,N-diphenyl-4-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)aniline;2,3,4-trifluoro-N-phenyl-N-[4-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]aniline is Fc1ccc(N(c2ccccc2)c2ccc(-c3ccc4ccc5c6c(ccc3c46)cc3c5c4ncccc4n3-c3ccccc3)cc2)c(F)c1F.c1cc2ccc3cc4c(c5ccc(c1)c2c35)c1ncccc1n4-c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4ccc5c6c(ccc3c46)cc3c5c4ncccc4n3-c3ccccc3)cc2)cc1.

What is the InChIKey of 9-(4-carbazol-9-ylphenyl)-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene;N,N-diphenyl-4-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)aniline;2,3,4-trifluoro-N-phenyl-N-[4-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]aniline?

The InChIKey is SOYBEVDICFSVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26F3N3.C45H29N3.C39H23N3/c46-36-23-24-37(44(48)43(36)47)50(30-8-3-1-4-9-30)32-18-13-27(14-19-32)33-20-15-28-16-22-35-41-29(17-21-34(33)40(28)41)26-39-42(35)45-38(12-7-25-49-45)51(39)31-10-5-2-6-11-31;1-4-11-33(12-5-1)47(34-13-6-2-7-14-34)36-23-18-30(19-24-36)37-25-20-31-21-27-39-43-32(22-26-38(37)42(31)43)29-41-44(39)45-40(17-10-28-46-45)48(41)35-15-8-3-9-16-35;1-3-11-32-29(9-1)30-10-2-4-12-33(30)41(32)27-17-19-28(20-18-27)42-34-13-6-22-40-39(34)38-31-21-16-25-8-5-7-24-14-15-26(23-35(38)42)37(31)36(24)25/h1-26H;1-29H;1-23H.

What are the key properties of 9-(4-carbazol-9-ylphenyl)-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene;N,N-diphenyl-4-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)aniline;2,3,4-trifluoro-N-phenyl-N-[4-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]aniline?

9-(4-carbazol-9-ylphenyl)-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene;N,N-diphenyl-4-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)aniline;2,3,4-trifluoro-N-phenyl-N-[4-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]aniline has a molecular weight of 1811.10 g/mol, XLogP of 35.02, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-carbazol-9-ylphenyl)-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene;N,N-diphenyl-4-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)aniline;2,3,4-trifluoro-N-phenyl-N-[4-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]aniline is sourced from PubChem (CID 160896470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).