3-[4-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N,N-diphenylaniline

C58H40N2 — CID 118087606

IUPAC3-[4-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N,N-diphenylaniline
SMILESc1ccc(-c2cc(-c3cccc4ccccc34)cc(-n3c4ccccc4c4cc(-c5ccc(-c6cccc(N(c7ccccc7)c7ccccc7)c6)cc5)ccc43)c2)cc1
InChIInChI=1S/C58H40N2/c1-4-16-41(17-5-1)47-36-48(54-28-15-19-44-18-10-11-26-53(44)54)39-52(38-47)60-57-29-13-12-27-55(57)56-40-46(34-35-58(56)60)43-32-30-42(31-33-43)45-20-14-25-51(37-45)59(49-21-6-2-7-22-49)50-23-8-3-9-24-50/h1-40H
InChIKeyQGASTDCZQRVXCO-UHFFFAOYSA-N
MW764.97 g/mol
LogP16.07
Rot. Bonds8

About 3-[4-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N,N-diphenylaniline

3-[4-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N,N-diphenylaniline (PubChem CID 118087606) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is 3-[4-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name3-[4-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N,N-diphenylaniline
PubChem CID118087606
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC Name3-[4-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N,N-diphenylaniline
SMILESc1ccc(-c2cc(-c3cccc4ccccc34)cc(-n3c4ccccc4c4cc(-c5ccc(-c6cccc(N(c7ccccc7)c7ccccc7)c6)cc5)ccc43)c2)cc1
InChIInChI=1S/C58H40N2/c1-4-16-41(17-5-1)47-36-48(54-28-15-19-44-18-10-11-26-53(44)54)39-52(38-47)60-57-29-13-12-27-55(57)56-40-46(34-35-58(56)60)43-32-30-42(31-33-43)45-20-14-25-51(37-45)59(49-21-6-2-7-22-49)50-23-8-3-9-24-50/h1-40H
InChIKeyQGASTDCZQRVXCO-UHFFFAOYSA-N
XLogP16.07
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.97
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[9-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118087718
N-[3-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 118087639
3-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 163482602
N-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118087581
N-[3-[4-[9-[3,5-bis(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 118087617
N-[4-[2-[9-(3-naphthalen-2-yl-5-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3-diphenylaniline
CID 118087598
N,3,5-triphenyl-N-[3-[2-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103160
3-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-N,N-diphenylaniline
CID 118337352
4-[3-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118901543
3-(3,5-diphenylphenyl)-N-[4-[3-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-5-phenyl-N-(3-phenylphenyl)aniline
CID 176878077
N-[2-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 144844280
2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;N-phenyl-3-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159658114

Frequently Asked Questions

What is the IUPAC name of 3-[4-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N,N-diphenylaniline?
The IUPAC name of 3-[4-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N,N-diphenylaniline (CID 118087606) is 3-[4-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 3-[4-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N,N-diphenylaniline?
The canonical SMILES for 3-[4-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N,N-diphenylaniline is c1ccc(-c2cc(-c3cccc4ccccc34)cc(-n3c4ccccc4c4cc(-c5ccc(-c6cccc(N(c7ccccc7)c7ccccc7)c6)cc5)ccc43)c2)cc1.
What is the InChIKey of 3-[4-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N,N-diphenylaniline?
The InChIKey is QGASTDCZQRVXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-4-16-41(17-5-1)47-36-48(54-28-15-19-44-18-10-11-26-53(44)54)39-52(38-47)60-57-29-13-12-27-55(57)56-40-46(34-35-58(56)60)43-32-30-42(31-33-43)45-20-14-25-51(37-45)59(49-21-6-2-7-22-49)50-23-8-3-9-24-50/h1-40H.
What are the key properties of 3-[4-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N,N-diphenylaniline?
3-[4-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N,N-diphenylaniline has a molecular weight of 764.97 g/mol, XLogP of 16.07, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 118087606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).