9-(4-carbazol-9-ylphenyl)-5,9-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;16-(9,9-dimethylfluoren-2-yl)-9-phenyl-5,9-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-undecaene;N-[4-(9-phenyl-5,9-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]-N-pyridin-2-ylpyridin-2-amine

C124H78N10 — CID 159556485

About 9-(4-carbazol-9-ylphenyl)-5,9-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;16-(9,9-dimethylfluoren-2-yl)-9-phenyl-5,9-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-undecaene;N-[4-(9-phenyl-5,9-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]-N-pyridin-2-ylpyridin-2-amine

9-(4-carbazol-9-ylphenyl)-5,9-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;16-(9,9-dimethylfluoren-2-yl)-9-phenyl-5,9-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-undecaene;N-[4-(9-phenyl-5,9-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]-N-pyridin-2-ylpyridin-2-amine (PubChem CID 159556485) has the molecular formula C124H78N10 and a molecular weight of 1708.06 g/mol. Its IUPAC name is 9-(4-carbazol-9-ylphenyl)-5,9-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;16-(9,9-dimethylfluoren-2-yl)-9-phenyl-5,9-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-undecaene;N-[4-(9-phenyl-5,9-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]-N-pyridin-2-ylpyridin-2-amine.

Molecular Properties

• Compound Name: 9-(4-carbazol-9-ylphenyl)-5,9-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;16-(9,9-dimethylfluoren-2-yl)-9-phenyl-5,9-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-undecaene;N-[4-(9-phenyl-5,9-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]-N-pyridin-2-ylpyridin-2-amine
• PubChem CID: 159556485
• Molecular Formula: C124H78N10
• Molecular Weight: 1708.06 g/mol
• Exact Mass: 1706.64
• IUPAC Name: 9-(4-carbazol-9-ylphenyl)-5,9-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;16-(9,9-dimethylfluoren-2-yl)-9-phenyl-5,9-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-undecaene;N-[4-(9-phenyl-5,9-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]-N-pyridin-2-ylpyridin-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5c6c(ccc3c46)cc3c5c4cnccc4n3-c3ccccc3)cc21.c1cc2ccc3cc4c(c5ccc(c1)c2c35)c1cnccc1n4-c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-n2c3ccncc3c3c4ccc5ccc(-c6ccc(N(c7ccccn7)c7ccccn7)cc6)c6ccc(cc32)c4c56)cc1
• InChI: InChI=1S/C43H27N5.C42H28N2.C39H23N3/c1-2-8-31(9-3-1)47-37-22-25-44-27-36(37)43-35-21-15-29-14-19-33(34-20-16-30(26-38(43)47)42(35)41(29)34)28-12-17-32(18-13-28)48(39-10-4-6-23-45-39)40-11-5-7-24-46-40;1-42(2)35-11-7-6-10-30(35)31-17-14-26(22-36(31)42)29-16-12-25-13-19-33-40-27(15-18-32(29)39(25)40)23-38-41(33)34-24-43-21-20-37(34)44(38)28-8-4-3-5-9-28;1-3-10-33-29(8-1)30-9-2-4-11-34(30)41(33)27-15-17-28(18-16-27)42-35-20-21-40-23-32(35)39-31-19-14-25-7-5-6-24-12-13-26(22-36(39)42)38(31)37(24)25/h1-27H;3-24H,1-2H3;1-23H
• InChIKey: MGBAODHGVMIHCO-UHFFFAOYSA-N
• XLogP: 32.23
• TPSA: 87.41 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1708.06
LogP ≤ 5	32.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(4-carbazol-9-ylphenyl)-5,9-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;16-(9,9-dimethylfluoren-2-yl)-9-phenyl-5,9-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-undecaene;N-[4-(9-phenyl-5,9-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]-N-pyridin-2-ylpyridin-2-amine?

The IUPAC name of 9-(4-carbazol-9-ylphenyl)-5,9-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;16-(9,9-dimethylfluoren-2-yl)-9-phenyl-5,9-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-undecaene;N-[4-(9-phenyl-5,9-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]-N-pyridin-2-ylpyridin-2-amine (CID 159556485) is 9-(4-carbazol-9-ylphenyl)-5,9-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;16-(9,9-dimethylfluoren-2-yl)-9-phenyl-5,9-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-undecaene;N-[4-(9-phenyl-5,9-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]-N-pyridin-2-ylpyridin-2-amine.

What is the SMILES notation for 9-(4-carbazol-9-ylphenyl)-5,9-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;16-(9,9-dimethylfluoren-2-yl)-9-phenyl-5,9-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-undecaene;N-[4-(9-phenyl-5,9-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]-N-pyridin-2-ylpyridin-2-amine?

The canonical SMILES for 9-(4-carbazol-9-ylphenyl)-5,9-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;16-(9,9-dimethylfluoren-2-yl)-9-phenyl-5,9-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-undecaene;N-[4-(9-phenyl-5,9-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]-N-pyridin-2-ylpyridin-2-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5c6c(ccc3c46)cc3c5c4cnccc4n3-c3ccccc3)cc21.c1cc2ccc3cc4c(c5ccc(c1)c2c35)c1cnccc1n4-c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-n2c3ccncc3c3c4ccc5ccc(-c6ccc(N(c7ccccn7)c7ccccn7)cc6)c6ccc(cc32)c4c56)cc1.

What is the InChIKey of 9-(4-carbazol-9-ylphenyl)-5,9-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;16-(9,9-dimethylfluoren-2-yl)-9-phenyl-5,9-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-undecaene;N-[4-(9-phenyl-5,9-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]-N-pyridin-2-ylpyridin-2-amine?

The InChIKey is MGBAODHGVMIHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N5.C42H28N2.C39H23N3/c1-2-8-31(9-3-1)47-37-22-25-44-27-36(37)43-35-21-15-29-14-19-33(34-20-16-30(26-38(43)47)42(35)41(29)34)28-12-17-32(18-13-28)48(39-10-4-6-23-45-39)40-11-5-7-24-46-40;1-42(2)35-11-7-6-10-30(35)31-17-14-26(22-36(31)42)29-16-12-25-13-19-33-40-27(15-18-32(29)39(25)40)23-38-41(33)34-24-43-21-20-37(34)44(38)28-8-4-3-5-9-28;1-3-10-33-29(8-1)30-9-2-4-11-34(30)41(33)27-15-17-28(18-16-27)42-35-20-21-40-23-32(35)39-31-19-14-25-7-5-6-24-12-13-26(22-36(39)42)38(31)37(24)25/h1-27H;3-24H,1-2H3;1-23H.

What are the key properties of 9-(4-carbazol-9-ylphenyl)-5,9-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;16-(9,9-dimethylfluoren-2-yl)-9-phenyl-5,9-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-undecaene;N-[4-(9-phenyl-5,9-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]-N-pyridin-2-ylpyridin-2-amine?

9-(4-carbazol-9-ylphenyl)-5,9-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;16-(9,9-dimethylfluoren-2-yl)-9-phenyl-5,9-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-undecaene;N-[4-(9-phenyl-5,9-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]-N-pyridin-2-ylpyridin-2-amine has a molecular weight of 1708.06 g/mol, XLogP of 32.23, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-carbazol-9-ylphenyl)-5,9-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;16-(9,9-dimethylfluoren-2-yl)-9-phenyl-5,9-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-undecaene;N-[4-(9-phenyl-5,9-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]-N-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 159556485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).