7-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-2-amine

C54H36N2 — CID 170363156

IUPAC7-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-2-amine
SMILESc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3ccc(-c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4)cc3c2)cc1
InChIInChI=1S/C54H36N2/c1-2-14-44(15-3-1)55(45-31-26-41(27-32-45)49-19-10-13-39-11-4-6-16-48(39)49)47-33-25-38-21-22-42(35-43(38)36-47)37-23-29-46(30-24-37)56-53-20-9-8-18-51(53)52-34-28-40-12-5-7-17-50(40)54(52)56/h1-36H
InChIKeyHIICDCROALTMTH-UHFFFAOYSA-N
MW712.90 g/mol
LogP15.05
Rot. Bonds6

About 7-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-2-amine

7-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-2-amine (PubChem CID 170363156) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is 7-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound Name7-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-2-amine
PubChem CID170363156
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC Name7-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-2-amine
SMILESc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3ccc(-c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4)cc3c2)cc1
InChIInChI=1S/C54H36N2/c1-2-14-44(15-3-1)55(45-31-26-41(27-32-45)49-19-10-13-39-11-4-6-16-48(39)49)47-33-25-38-21-22-42(35-43(38)36-47)37-23-29-46(30-24-37)56-53-20-9-8-18-51(53)52-34-28-40-12-5-7-17-50(40)54(52)56/h1-36H
InChIKeyHIICDCROALTMTH-UHFFFAOYSA-N
XLogP15.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline;4-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;4-phenyl-N-[4-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 161282085
N-(4-benzo[a]carbazol-11-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
CID 167038330
N-(4-naphthalen-2-ylphenyl)-N-phenyl-11-(4-phenylphenyl)benzo[a]carbazol-3-amine
CID 155034335
N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 157492697
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 168781705
N-[4-(6-benzo[a]carbazol-11-ylnaphthalen-2-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 170363167
3-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;3-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-[3-(2-phenylphenyl)phenyl]phenyl]aniline
CID 162113105
N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline
CID 146580365
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 168781863
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine
CID 168782065
4-(4-carbazol-9-ylphenyl)-N,N-diphenylaniline;4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,4-diphenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine
CID 159528912
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)aniline
CID 168782181

Frequently Asked Questions

What is the IUPAC name of 7-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-2-amine?
The IUPAC name of 7-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-2-amine (CID 170363156) is 7-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-2-amine.
What is the SMILES notation for 7-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-2-amine?
The canonical SMILES for 7-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-2-amine is c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3ccc(-c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4)cc3c2)cc1.
What is the InChIKey of 7-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-2-amine?
The InChIKey is HIICDCROALTMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-2-14-44(15-3-1)55(45-31-26-41(27-32-45)49-19-10-13-39-11-4-6-16-48(39)49)47-33-25-38-21-22-42(35-43(38)36-47)37-23-29-46(30-24-37)56-53-20-9-8-18-51(53)52-34-28-40-12-5-7-17-50(40)54(52)56/h1-36H.
What are the key properties of 7-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-2-amine?
7-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-2-amine has a molecular weight of 712.90 g/mol, XLogP of 15.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 170363156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).