4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline

C46H32N2 — CID 169016142

IUPAC4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cccc4cccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c34)cc2)cc1
InChIInChI=1S/C46H32N2/c1-3-15-36(16-4-1)47(37-17-5-2-6-18-37)38-29-25-33(26-30-38)40-21-11-13-35-14-12-22-41(46(35)40)34-27-31-39(32-28-34)48-44-23-9-7-19-42(44)43-20-8-10-24-45(43)48/h1-32H
InChIKeyXBKYGGDZJODBEA-UHFFFAOYSA-N
MW612.78 g/mol
LogP12.74
Rot. Bonds6

About 4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline

4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline (PubChem CID 169016142) has the molecular formula C46H32N2 and a molecular weight of 612.78 g/mol. Its IUPAC name is 4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline
PubChem CID169016142
Molecular FormulaC46H32N2
Molecular Weight612.78 g/mol
Exact Mass612.26
IUPAC Name4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cccc4cccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c34)cc2)cc1
InChIInChI=1S/C46H32N2/c1-3-15-36(16-4-1)47(37-17-5-2-6-18-37)38-29-25-33(26-30-38)40-21-11-13-35-14-12-22-41(46(35)40)34-27-31-39(32-28-34)48-44-23-9-7-19-42(44)43-20-8-10-24-45(43)48/h1-32H
InChIKeyXBKYGGDZJODBEA-UHFFFAOYSA-N
XLogP12.74
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.78
LogP ≤ 512.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379939
N-(4-carbazol-9-ylphenyl)-4-(8-naphthalen-1-ylnaphthalen-1-yl)-N-phenylaniline
CID 170380175
N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170380154
N-(4-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 168798243
N,4-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
CID 169016056
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146578337
4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170380140
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]aniline
CID 121403668
N,N-diphenyl-4-[4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]phenyl]aniline
CID 121403671
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 168798366
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379993
3-carbazol-9-yl-N-[4-(8-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylaniline
CID 170380197

Frequently Asked Questions

What is the IUPAC name of 4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline (CID 169016142) is 4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc(-c3cccc4cccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c34)cc2)cc1.
What is the InChIKey of 4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline?
The InChIKey is XBKYGGDZJODBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2/c1-3-15-36(16-4-1)47(37-17-5-2-6-18-37)38-29-25-33(26-30-38)40-21-11-13-35-14-12-22-41(46(35)40)34-27-31-39(32-28-34)48-44-23-9-7-19-42(44)43-20-8-10-24-45(43)48/h1-32H.
What are the key properties of 4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline?
4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline has a molecular weight of 612.78 g/mol, XLogP of 12.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline is sourced from PubChem (CID 169016142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).