N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine

C60H40N2 — CID 168781459

IUPACN-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-c6ccc7c8ccc9ccccc9c8n(-c8ccccc8)c7c6)cc5)c5cccc6ccccc56)cc4)c23)cc1
InChIInChI=1S/C60H40N2/c1-3-14-43(15-4-1)52-25-11-19-46-20-12-26-53(59(46)52)45-30-36-50(37-31-45)61(57-27-13-18-42-16-7-9-23-51(42)57)49-34-28-41(29-35-49)47-33-38-55-56-39-32-44-17-8-10-24-54(44)60(56)62(58(55)40-47)48-21-5-2-6-22-48/h1-40H
InChIKeyZTCSVPWRSDMAFH-UHFFFAOYSA-N
MW788.99 g/mol
LogP16.71
Rot. Bonds7

About N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine

N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine (PubChem CID 168781459) has the molecular formula C60H40N2 and a molecular weight of 788.99 g/mol. Its IUPAC name is N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
PubChem CID168781459
Molecular FormulaC60H40N2
Molecular Weight788.99 g/mol
Exact Mass788.32
IUPAC NameN-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-c6ccc7c8ccc9ccccc9c8n(-c8ccccc8)c7c6)cc5)c5cccc6ccccc56)cc4)c23)cc1
InChIInChI=1S/C60H40N2/c1-3-14-43(15-4-1)52-25-11-19-46-20-12-26-53(59(46)52)45-30-36-50(37-31-45)61(57-27-13-18-42-16-7-9-23-51(42)57)49-34-28-41(29-35-49)47-33-38-55-56-39-32-44-17-8-10-24-54(44)60(56)62(58(55)40-47)48-21-5-2-6-22-48/h1-40H
InChIKeyZTCSVPWRSDMAFH-UHFFFAOYSA-N
XLogP16.71
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.99
LogP ≤ 516.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168781710
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 168781705
N-(3,5-diphenylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]naphthalen-1-amine
CID 168781568
9-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine
CID 130250239
4-phenanthren-3-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168782134
6-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 168781429
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine
CID 168782065
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)aniline
CID 168782181
N-(4-dibenzothiophen-4-ylphenyl)-2-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]aniline
CID 168781344
9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 168782198
N-(4-dibenzothiophen-1-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168781750
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 168781643

Frequently Asked Questions

What is the IUPAC name of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine?
The IUPAC name of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine (CID 168781459) is N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine is c1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-c6ccc7c8ccc9ccccc9c8n(-c8ccccc8)c7c6)cc5)c5cccc6ccccc56)cc4)c23)cc1.
What is the InChIKey of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine?
The InChIKey is ZTCSVPWRSDMAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2/c1-3-14-43(15-4-1)52-25-11-19-46-20-12-26-53(59(46)52)45-30-36-50(37-31-45)61(57-27-13-18-42-16-7-9-23-51(42)57)49-34-28-41(29-35-49)47-33-38-55-56-39-32-44-17-8-10-24-54(44)60(56)62(58(55)40-47)48-21-5-2-6-22-48/h1-40H.
What are the key properties of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine?
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine has a molecular weight of 788.99 g/mol, XLogP of 16.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 168781459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).