N-(3,5-diphenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine;9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-14-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine

C122H84N6 — CID 159696695

About N-(3,5-diphenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine;9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-14-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine

N-(3,5-diphenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine;9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-14-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine (PubChem CID 159696695) has the molecular formula C122H84N6 and a molecular weight of 1634.06 g/mol. Its IUPAC name is N-(3,5-diphenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine;9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-14-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine.

Molecular Properties

• Compound Name: N-(3,5-diphenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine;9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-14-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
• PubChem CID: 159696695
• Molecular Formula: C122H84N6
• Molecular Weight: 1634.06 g/mol
• Exact Mass: 1632.68
• IUPAC Name: N-(3,5-diphenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine;9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-14-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
• SMILES: C1=C(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2cccc3c2C(C1)c1ccccc1N3c1ccccc1.c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc5c6c(cccc46)N(c4ccccc4)c4ccccc4-5)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1
• InChI: InChI=1S/C64H43N3.C58H41N3/c1-5-18-44(19-6-1)47-40-48(45-20-7-2-8-21-45)42-53(41-47)65(52-36-39-62-59(43-52)56-27-14-16-30-61(56)66(62)49-22-9-3-10-23-49)51-34-32-46(33-35-51)54-37-38-58-55-26-13-15-29-60(55)67(50-24-11-4-12-25-50)63-31-17-28-57(54)64(58)63;1-4-15-40(16-5-1)41-27-31-45(32-28-41)59(47-35-38-56-53(39-47)50-22-11-13-25-55(50)60(56)43-17-6-2-7-18-43)46-33-29-42(30-34-46)48-36-37-52-49-21-10-12-24-54(49)61(44-19-8-3-9-20-44)57-26-14-23-51(48)58(52)57/h1-43H;1-36,38-39,52H,37H2
• InChIKey: MXCGXWQPKJLDHG-UHFFFAOYSA-N
• XLogP: 33.53
• TPSA: 22.82 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1634.06
LogP ≤ 5	33.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine;9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-14-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine?

The IUPAC name of N-(3,5-diphenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine;9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-14-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine (CID 159696695) is N-(3,5-diphenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine;9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-14-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine.

What is the SMILES notation for N-(3,5-diphenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine;9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-14-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine?

The canonical SMILES for N-(3,5-diphenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine;9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-14-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine is C1=C(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2cccc3c2C(C1)c1ccccc1N3c1ccccc1.c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc5c6c(cccc46)N(c4ccccc4)c4ccccc4-5)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1.

What is the InChIKey of N-(3,5-diphenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine;9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-14-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine?

The InChIKey is MXCGXWQPKJLDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N3.C58H41N3/c1-5-18-44(19-6-1)47-40-48(45-20-7-2-8-21-45)42-53(41-47)65(52-36-39-62-59(43-52)56-27-14-16-30-61(56)66(62)49-22-9-3-10-23-49)51-34-32-46(33-35-51)54-37-38-58-55-26-13-15-29-60(55)67(50-24-11-4-12-25-50)63-31-17-28-57(54)64(58)63;1-4-15-40(16-5-1)41-27-31-45(32-28-41)59(47-35-38-56-53(39-47)50-22-11-13-25-55(50)60(56)43-17-6-2-7-18-43)46-33-29-42(30-34-46)48-36-37-52-49-21-10-12-24-54(49)61(44-19-8-3-9-20-44)57-26-14-23-51(48)58(52)57/h1-43H;1-36,38-39,52H,37H2.

What are the key properties of N-(3,5-diphenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine;9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-14-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine?

N-(3,5-diphenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine;9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-14-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine has a molecular weight of 1634.06 g/mol, XLogP of 33.53, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-diphenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine;9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-14-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 159696695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).