N-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine

C66H43N3 — CID 118532804

IUPACN-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine
SMILESc1ccc(N2c3cc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccc6c7c8ccccc8ccc7n(-c7ccccc7)c6c5)cc4)ccc3-c3cccc4cccc2c34)cc1
InChIInChI=1S/C66H43N3/c1-3-18-52(19-4-1)68-61-24-12-17-48-16-11-23-59(65(48)61)58-39-37-56(43-64(58)68)67(54-33-27-45(28-34-54)50-26-25-44-13-7-8-15-49(44)41-50)55-35-29-46(30-36-55)51-31-38-60-63(42-51)69(53-20-5-2-6-21-53)62-40-32-47-14-9-10-22-57(47)66(60)62/h1-43H
InChIKeyAUZAQDBOULOUFX-UHFFFAOYSA-N
MW878.09 g/mol
LogP18.50
Rot. Bonds7

About N-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine

N-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine (PubChem CID 118532804) has the molecular formula C66H43N3 and a molecular weight of 878.09 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine
PubChem CID118532804
Molecular FormulaC66H43N3
Molecular Weight878.09 g/mol
Exact Mass877.35
IUPAC NameN-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine
SMILESc1ccc(N2c3cc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccc6c7c8ccccc8ccc7n(-c7ccccc7)c6c5)cc4)ccc3-c3cccc4cccc2c34)cc1
InChIInChI=1S/C66H43N3/c1-3-18-52(19-4-1)68-61-24-12-17-48-16-11-23-59(65(48)61)58-39-37-56(43-64(58)68)67(54-33-27-45(28-34-54)50-26-25-44-13-7-8-15-49(44)41-50)55-35-29-46(30-36-55)51-31-38-60-63(42-51)69(53-20-5-2-6-21-53)62-40-32-47-14-9-10-22-57(47)66(60)62/h1-43H
InChIKeyAUZAQDBOULOUFX-UHFFFAOYSA-N
XLogP18.50
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.09
LogP ≤ 518.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine with MolForge

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Related Compounds

N-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine;N-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine;N-phenyl-N-[4-[3-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl)phenyl]phenyl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine
CID 158989923
7-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N,9-diphenylcarbazol-2-amine
CID 146573851
N-(4-benzo[c]carbazol-7-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-(4-benzo[c]carbazol-7-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;4-naphthalen-2-yl-N-phenyl-N-[4-(9-phenylbenzo[c]carbazol-7-yl)phenyl]aniline
CID 159709089
3-(7,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 166659601
N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-3-yl)aniline
CID 170177898
N,N-diphenyl-4-[4-[7-(4-phenylphenyl)benzo[g]carbazol-9-yl]phenyl]aniline
CID 145362201
N-(4-naphthalen-2-ylphenyl)-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169010246
N-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-N,9-diphenylcarbazol-2-amine
CID 129133869
5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169010262
N-(4-naphthalen-1-ylphenyl)-N-phenyl-7-(2-phenylphenyl)benzo[c]carbazol-2-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-2-amine
CID 165001412
2-phenyl-N-[3-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 166847702
N,N-bis(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-3-amine;N,N-bis(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-4-amine;9-naphthalen-1-yl-N,N-bis(4-naphthalen-1-ylphenyl)carbazol-4-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-amine
CID 157362791

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine (CID 118532804) is N-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine is c1ccc(N2c3cc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccc6c7c8ccccc8ccc7n(-c7ccccc7)c6c5)cc4)ccc3-c3cccc4cccc2c34)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine?
The InChIKey is AUZAQDBOULOUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N3/c1-3-18-52(19-4-1)68-61-24-12-17-48-16-11-23-59(65(48)61)58-39-37-56(43-64(58)68)67(54-33-27-45(28-34-54)50-26-25-44-13-7-8-15-49(44)41-50)55-35-29-46(30-36-55)51-31-38-60-63(42-51)69(53-20-5-2-6-21-53)62-40-32-47-14-9-10-22-57(47)66(60)62/h1-43H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine?
N-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine has a molecular weight of 878.09 g/mol, XLogP of 18.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine is sourced from PubChem (CID 118532804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).