N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-N-(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-amine;10-(9,9-diphenylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(3,6-diphenylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

C133H92N6 — CID 161390341

About N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-N-(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-amine;10-(9,9-diphenylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(3,6-diphenylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-N-(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-amine;10-(9,9-diphenylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(3,6-diphenylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (PubChem CID 161390341) has the molecular formula C133H92N6 and a molecular weight of 1774.24 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-N-(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-amine;10-(9,9-diphenylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(3,6-diphenylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-N-(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-amine;10-(9,9-diphenylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(3,6-diphenylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
• PubChem CID: 161390341
• Molecular Formula: C133H92N6
• Molecular Weight: 1774.24 g/mol
• Exact Mass: 1772.74
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-N-(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-amine;10-(9,9-diphenylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(3,6-diphenylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c5c(c3)c3ccccc3n5-c3ccccc3C4(C)C)cc21.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cc3c4ccccc4n4c5ccccc5c(c2)c34)cc1.c1ccc(C2(c3ccccc3)c3ccccc3N(c3cc4c5ccccc5n5c6ccccc6c(c3)c45)c3ccccc32)cc1
• InChI: InChI=1S/C48H38N2.C43H28N2.C42H26N2/c1-47(2)40-18-10-8-16-36(40)37-27-26-34(29-42(37)47)49(33-24-22-32(23-25-33)31-14-6-5-7-15-31)35-28-39-38-17-9-12-20-44(38)50-45-21-13-11-19-41(45)48(3,4)43(30-35)46(39)50;1-3-15-29(16-4-1)43(30-17-5-2-6-18-30)36-21-9-13-25-40(36)44(41-26-14-10-22-37(41)43)31-27-34-32-19-7-11-23-38(32)45-39-24-12-8-20-33(39)35(28-31)42(34)45;1-3-11-27(12-4-1)29-19-21-40-34(23-29)35-24-30(28-13-5-2-6-14-28)20-22-41(35)43(40)31-25-36-32-15-7-9-17-38(32)44-39-18-10-8-16-33(39)37(26-31)42(36)44/h5-30H,1-4H3;1-28H;1-26H
• InChIKey: VSXFCXJXJHILEP-UHFFFAOYSA-N
• XLogP: 35.14
• TPSA: 25.16 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1774.24
LogP ≤ 5	35.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-N-(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-amine;10-(9,9-diphenylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(3,6-diphenylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-N-(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-amine;10-(9,9-diphenylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(3,6-diphenylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (CID 161390341) is N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-N-(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-amine;10-(9,9-diphenylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(3,6-diphenylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-N-(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-amine;10-(9,9-diphenylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(3,6-diphenylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-N-(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-amine;10-(9,9-diphenylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(3,6-diphenylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c5c(c3)c3ccccc3n5-c3ccccc3C4(C)C)cc21.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cc3c4ccccc4n4c5ccccc5c(c2)c34)cc1.c1ccc(C2(c3ccccc3)c3ccccc3N(c3cc4c5ccccc5n5c6ccccc6c(c3)c45)c3ccccc32)cc1.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-N-(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-amine;10-(9,9-diphenylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(3,6-diphenylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The InChIKey is VSXFCXJXJHILEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38N2.C43H28N2.C42H26N2/c1-47(2)40-18-10-8-16-36(40)37-27-26-34(29-42(37)47)49(33-24-22-32(23-25-33)31-14-6-5-7-15-31)35-28-39-38-17-9-12-20-44(38)50-45-21-13-11-19-41(45)48(3,4)43(30-35)46(39)50;1-3-15-29(16-4-1)43(30-17-5-2-6-18-30)36-21-9-13-25-40(36)44(41-26-14-10-22-37(41)43)31-27-34-32-19-7-11-23-38(32)45-39-24-12-8-20-33(39)35(28-31)42(34)45;1-3-11-27(12-4-1)29-19-21-40-34(23-29)35-24-30(28-13-5-2-6-14-28)20-22-41(35)43(40)31-25-36-32-15-7-9-17-38(32)44-39-18-10-8-16-33(39)37(26-31)42(36)44/h5-30H,1-4H3;1-28H;1-26H.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-N-(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-amine;10-(9,9-diphenylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(3,6-diphenylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-N-(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-amine;10-(9,9-diphenylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(3,6-diphenylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene has a molecular weight of 1774.24 g/mol, XLogP of 35.14, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-N-(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-amine;10-(9,9-diphenylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(3,6-diphenylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 161390341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).