N,N-bis(4-naphthalen-2-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)aniline

C60H40N2 — CID 166659643

IUPACN,N-bis(4-naphthalen-2-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
SMILESc1ccc(-n2c3cccc(-c4cccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc(-c6ccc7ccccc7c6)cc5)c4)c3c3c4ccccc4ccc32)cc1
InChIInChI=1S/C60H40N2/c1-2-18-51(19-3-1)62-57-23-11-22-56(60(57)59-55-21-9-8-14-45(55)32-37-58(59)62)50-17-10-20-54(40-50)61(52-33-28-43(29-34-52)48-26-24-41-12-4-6-15-46(41)38-48)53-35-30-44(31-36-53)49-27-25-42-13-5-7-16-47(42)39-49/h1-40H
InChIKeyBNTHKFYZCYUOQI-UHFFFAOYSA-N
MW788.99 g/mol
LogP16.71
Rot. Bonds7

About N,N-bis(4-naphthalen-2-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)aniline

N,N-bis(4-naphthalen-2-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)aniline (PubChem CID 166659643) has the molecular formula C60H40N2 and a molecular weight of 788.99 g/mol. Its IUPAC name is N,N-bis(4-naphthalen-2-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)aniline.

Molecular Properties

Compound NameN,N-bis(4-naphthalen-2-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
PubChem CID166659643
Molecular FormulaC60H40N2
Molecular Weight788.99 g/mol
Exact Mass788.32
IUPAC NameN,N-bis(4-naphthalen-2-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
SMILESc1ccc(-n2c3cccc(-c4cccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc(-c6ccc7ccccc7c6)cc5)c4)c3c3c4ccccc4ccc32)cc1
InChIInChI=1S/C60H40N2/c1-2-18-51(19-3-1)62-57-23-11-22-56(60(57)59-55-21-9-8-14-45(55)32-37-58(59)62)50-17-10-20-54(40-50)61(52-33-28-43(29-34-52)48-26-24-41-12-4-6-15-46(41)38-48)53-35-30-44(31-36-53)49-27-25-42-13-5-7-16-47(42)39-49/h1-40H
InChIKeyBNTHKFYZCYUOQI-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

3-(7-phenylbenzo[c]carbazol-11-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 166660559
N-(4-phenanthren-2-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 167196251
N-[4-(3,5-diphenylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)-N-(4-phenylphenyl)aniline
CID 166660549
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 166660520
N-(4-naphthalen-1-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167196262
3-(5,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167194998
N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 167195951
N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 167195790
3-(5,9-diphenylcarbazol-4-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660170
N-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine
CID 166659919
3-(7,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 166659601
N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(5-phenylbenzo[b]carbazol-1-yl)aniline
CID 167196209

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-naphthalen-2-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)aniline?
The IUPAC name of N,N-bis(4-naphthalen-2-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)aniline (CID 166659643) is N,N-bis(4-naphthalen-2-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)aniline.
What is the SMILES notation for N,N-bis(4-naphthalen-2-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)aniline?
The canonical SMILES for N,N-bis(4-naphthalen-2-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)aniline is c1ccc(-n2c3cccc(-c4cccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc(-c6ccc7ccccc7c6)cc5)c4)c3c3c4ccccc4ccc32)cc1.
What is the InChIKey of N,N-bis(4-naphthalen-2-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)aniline?
The InChIKey is BNTHKFYZCYUOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2/c1-2-18-51(19-3-1)62-57-23-11-22-56(60(57)59-55-21-9-8-14-45(55)32-37-58(59)62)50-17-10-20-54(40-50)61(52-33-28-43(29-34-52)48-26-24-41-12-4-6-15-46(41)38-48)53-35-30-44(31-36-53)49-27-25-42-13-5-7-16-47(42)39-49/h1-40H.
What are the key properties of N,N-bis(4-naphthalen-2-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)aniline?
N,N-bis(4-naphthalen-2-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)aniline 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,N-bis(4-naphthalen-2-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)aniline is sourced from PubChem (CID 166659643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).