10-carbazol-9-yl-13-(3,5-diphenylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;21,21-dimethyl-N,N-diphenyl-2,14-diazaheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(25),3,5,7,9(27),10,12,15,17,19,22(26),23-dodecaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-N-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine

C129H94N8 — CID 160871548

About 10-carbazol-9-yl-13-(3,5-diphenylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;21,21-dimethyl-N,N-diphenyl-2,14-diazaheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(25),3,5,7,9(27),10,12,15,17,19,22(26),23-dodecaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-N-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine

10-carbazol-9-yl-13-(3,5-diphenylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;21,21-dimethyl-N,N-diphenyl-2,14-diazaheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(25),3,5,7,9(27),10,12,15,17,19,22(26),23-dodecaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-N-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine (PubChem CID 160871548) has the molecular formula C129H94N8 and a molecular weight of 1756.23 g/mol. Its IUPAC name is 10-carbazol-9-yl-13-(3,5-diphenylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;21,21-dimethyl-N,N-diphenyl-2,14-diazaheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(25),3,5,7,9(27),10,12,15,17,19,22(26),23-dodecaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-N-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine.

Molecular Properties

• Compound Name: 10-carbazol-9-yl-13-(3,5-diphenylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;21,21-dimethyl-N,N-diphenyl-2,14-diazaheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(25),3,5,7,9(27),10,12,15,17,19,22(26),23-dodecaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-N-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
• PubChem CID: 160871548
• Molecular Formula: C129H94N8
• Molecular Weight: 1756.23 g/mol
• Exact Mass: 1754.76
• IUPAC Name: 10-carbazol-9-yl-13-(3,5-diphenylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;21,21-dimethyl-N,N-diphenyl-2,14-diazaheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(25),3,5,7,9(27),10,12,15,17,19,22(26),23-dodecaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-N-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3cccc5c3n4-c3ccccc3C5(C)C)cc21.CC1(C)c2ccccc2N2c3c(cccc31)-n1c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)cc2c31.c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)cc3c54)c2)cc1
• InChI: InChI=1S/C48H31N3.C42H34N2.C39H29N3/c1-3-15-32(16-4-1)34-27-35(33-17-5-2-6-18-33)29-36(28-34)50-45-25-13-14-26-46(45)51-44-24-12-9-21-40(44)41-30-37(31-47(50)48(41)51)49-42-22-10-7-19-38(42)39-20-8-11-23-43(39)49;1-41(2)34-17-9-8-15-30(34)31-23-21-29(26-37(31)41)43(27-13-6-5-7-14-27)28-22-24-38-33(25-28)32-16-12-19-36-40(32)44(38)39-20-11-10-18-35(39)42(36,3)4;1-39(2)31-19-10-12-22-34(31)42-36-25-28(40(26-14-5-3-6-15-26)27-16-7-4-8-17-27)24-30-29-18-9-11-21-33(29)41(37(30)36)35-23-13-20-32(39)38(35)42/h1-31H;5-26H,1-4H3;3-25H,1-2H3
• InChIKey: SLVARJCWMLYVQJ-UHFFFAOYSA-N
• XLogP: 34.87
• TPSA: 32.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1756.23
LogP ≤ 5	34.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 10-carbazol-9-yl-13-(3,5-diphenylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;21,21-dimethyl-N,N-diphenyl-2,14-diazaheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(25),3,5,7,9(27),10,12,15,17,19,22(26),23-dodecaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-N-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine?

The IUPAC name of 10-carbazol-9-yl-13-(3,5-diphenylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;21,21-dimethyl-N,N-diphenyl-2,14-diazaheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(25),3,5,7,9(27),10,12,15,17,19,22(26),23-dodecaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-N-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine (CID 160871548) is 10-carbazol-9-yl-13-(3,5-diphenylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;21,21-dimethyl-N,N-diphenyl-2,14-diazaheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(25),3,5,7,9(27),10,12,15,17,19,22(26),23-dodecaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-N-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine.

What is the SMILES notation for 10-carbazol-9-yl-13-(3,5-diphenylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;21,21-dimethyl-N,N-diphenyl-2,14-diazaheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(25),3,5,7,9(27),10,12,15,17,19,22(26),23-dodecaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-N-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine?

The canonical SMILES for 10-carbazol-9-yl-13-(3,5-diphenylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;21,21-dimethyl-N,N-diphenyl-2,14-diazaheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(25),3,5,7,9(27),10,12,15,17,19,22(26),23-dodecaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-N-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3cccc5c3n4-c3ccccc3C5(C)C)cc21.CC1(C)c2ccccc2N2c3c(cccc31)-n1c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)cc2c31.c1ccc(-c2cc(-c3ccccc3)cc(N3c4ccccc4-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)cc3c54)c2)cc1.

What is the InChIKey of 10-carbazol-9-yl-13-(3,5-diphenylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;21,21-dimethyl-N,N-diphenyl-2,14-diazaheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(25),3,5,7,9(27),10,12,15,17,19,22(26),23-dodecaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-N-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine?

The InChIKey is SLVARJCWMLYVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3.C42H34N2.C39H29N3/c1-3-15-32(16-4-1)34-27-35(33-17-5-2-6-18-33)29-36(28-34)50-45-25-13-14-26-46(45)51-44-24-12-9-21-40(44)41-30-37(31-47(50)48(41)51)49-42-22-10-7-19-38(42)39-20-8-11-23-43(39)49;1-41(2)34-17-9-8-15-30(34)31-23-21-29(26-37(31)41)43(27-13-6-5-7-14-27)28-22-24-38-33(25-28)32-16-12-19-36-40(32)44(38)39-20-11-10-18-35(39)42(36,3)4;1-39(2)31-19-10-12-22-34(31)42-36-25-28(40(26-14-5-3-6-15-26)27-16-7-4-8-17-27)24-30-29-18-9-11-21-33(29)41(37(30)36)35-23-13-20-32(39)38(35)42/h1-31H;5-26H,1-4H3;3-25H,1-2H3.

What are the key properties of 10-carbazol-9-yl-13-(3,5-diphenylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;21,21-dimethyl-N,N-diphenyl-2,14-diazaheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(25),3,5,7,9(27),10,12,15,17,19,22(26),23-dodecaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-N-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine?

10-carbazol-9-yl-13-(3,5-diphenylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;21,21-dimethyl-N,N-diphenyl-2,14-diazaheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(25),3,5,7,9(27),10,12,15,17,19,22(26),23-dodecaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-N-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine has a molecular weight of 1756.23 g/mol, XLogP of 34.87, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 10-carbazol-9-yl-13-(3,5-diphenylphenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;21,21-dimethyl-N,N-diphenyl-2,14-diazaheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(25),3,5,7,9(27),10,12,15,17,19,22(26),23-dodecaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-N-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine is sourced from PubChem (CID 160871548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).