9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine;N,N-bis(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine

C163H132N6O — CID 158992270

About 9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine;N,N-bis(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine

9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine;N,N-bis(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine (PubChem CID 158992270) has the molecular formula C163H132N6O and a molecular weight of 2190.89 g/mol. Its IUPAC name is 9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine;N,N-bis(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine.

Molecular Properties

• Compound Name: 9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine;N,N-bis(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine
• PubChem CID: 158992270
• Molecular Formula: C163H132N6O
• Molecular Weight: 2190.89 g/mol
• Exact Mass: 2189.05
• IUPAC Name: 9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine;N,N-bis(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine
• SMILES: Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccccc2)c2c3ccccc3n(-c3ccccc3C3C4CC5CC(C4)CC3C5)c12.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc4c5c3c3ccccc3n5-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5c3c3ccccc3n5-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)cc1
• InChI: InChI=1S/C58H44N2O.C53H46N2.C52H42N2/c1-2-10-38(11-3-1)39-18-23-44(24-19-39)59(45-25-20-40(21-26-45)41-22-27-47-46-12-5-9-17-54(46)61-55(47)35-41)53-29-28-50-57-56(53)48-13-4-7-15-51(48)60(57)52-16-8-6-14-49(52)58(50)42-31-36-30-37(33-42)34-43(58)32-36;1-35-24-29-50(54(43-27-25-39(26-28-43)38-14-4-2-5-15-38)47-21-11-8-18-44(47)40-16-6-3-7-17-40)52-46-20-10-13-23-49(46)55(53(35)52)48-22-12-9-19-45(48)51-41-31-36-30-37(33-41)34-42(51)32-36;1-3-11-36(12-4-1)38-19-23-42(24-20-38)53(43-25-21-39(22-26-43)37-13-5-2-6-14-37)49-28-27-46-51-50(49)44-15-7-9-17-47(44)54(51)48-18-10-8-16-45(48)52(46)40-30-34-29-35(32-40)33-41(52)31-34/h1-29,35-37,42-43H,30-34H2;2-29,36-37,41-42,51H,30-34H2,1H3;1-28,34-35,40-41H,29-33H2
• InChIKey: JQHQCMMKZXMBQX-UHFFFAOYSA-N
• XLogP: 43.62
• TPSA: 37.65 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2190.89
LogP ≤ 5	43.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine;N,N-bis(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine?

The IUPAC name of 9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine;N,N-bis(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine (CID 158992270) is 9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine;N,N-bis(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine.

What is the SMILES notation for 9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine;N,N-bis(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine?

The canonical SMILES for 9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine;N,N-bis(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine is Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccccc2)c2c3ccccc3n(-c3ccccc3C3C4CC5CC(C4)CC3C5)c12.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc4c5c3c3ccccc3n5-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5c3c3ccccc3n5-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)cc1.

What is the InChIKey of 9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine;N,N-bis(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine?

The InChIKey is JQHQCMMKZXMBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2O.C53H46N2.C52H42N2/c1-2-10-38(11-3-1)39-18-23-44(24-19-39)59(45-25-20-40(21-26-45)41-22-27-47-46-12-5-9-17-54(46)61-55(47)35-41)53-29-28-50-57-56(53)48-13-4-7-15-51(48)60(57)52-16-8-6-14-49(52)58(50)42-31-36-30-37(33-42)34-43(58)32-36;1-35-24-29-50(54(43-27-25-39(26-28-43)38-14-4-2-5-15-38)47-21-11-8-18-44(47)40-16-6-3-7-17-40)52-46-20-10-13-23-49(46)55(53(35)52)48-22-12-9-19-45(48)51-41-31-36-30-37(33-41)34-42(51)32-36;1-3-11-36(12-4-1)38-19-23-42(24-20-38)53(43-25-21-39(22-26-43)37-13-5-2-6-14-37)49-28-27-46-51-50(49)44-15-7-9-17-47(44)54(51)48-18-10-8-16-45(48)52(46)40-30-34-29-35(32-40)33-41(52)31-34/h1-29,35-37,42-43H,30-34H2;2-29,36-37,41-42,51H,30-34H2,1H3;1-28,34-35,40-41H,29-33H2.

What are the key properties of 9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine;N,N-bis(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine?

9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine;N,N-bis(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine has a molecular weight of 2190.89 g/mol, XLogP of 43.62, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine;N,N-bis(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine is sourced from PubChem (CID 158992270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).