3-(3-carbazol-9-ylnaphthalen-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline

C60H40N2 — CID 170664561

IUPAC3-(3-carbazol-9-ylnaphthalen-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
SMILESc1cc(-c2cc3ccccc3cc2-n2c3ccccc3c3ccccc32)cc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3cccc4ccccc34)cc2)c1
InChIInChI=1S/C60H40N2/c1-2-17-46-40-60(62-58-28-9-7-24-55(58)56-25-8-10-29-59(56)62)57(39-45(46)16-1)47-20-11-21-50(38-47)61(48-34-30-43(31-35-48)53-26-12-18-41-14-3-5-22-51(41)53)49-36-32-44(33-37-49)54-27-13-19-42-15-4-6-23-52(42)54/h1-40H
InChIKeyCEPMWYPHUCRUFT-UHFFFAOYSA-N
MW788.99 g/mol
LogP16.71
Rot. Bonds7

About 3-(3-carbazol-9-ylnaphthalen-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline

3-(3-carbazol-9-ylnaphthalen-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline (PubChem CID 170664561) has the molecular formula C60H40N2 and a molecular weight of 788.99 g/mol. Its IUPAC name is 3-(3-carbazol-9-ylnaphthalen-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound Name3-(3-carbazol-9-ylnaphthalen-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
PubChem CID170664561
Molecular FormulaC60H40N2
Molecular Weight788.99 g/mol
Exact Mass788.32
IUPAC Name3-(3-carbazol-9-ylnaphthalen-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
SMILESc1cc(-c2cc3ccccc3cc2-n2c3ccccc3c3ccccc32)cc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3cccc4ccccc34)cc2)c1
InChIInChI=1S/C60H40N2/c1-2-17-46-40-60(62-58-28-9-7-24-55(58)56-25-8-10-29-59(56)62)57(39-45(46)16-1)47-20-11-21-50(38-47)61(48-34-30-43(31-35-48)53-26-12-18-41-14-3-5-22-51(41)53)49-36-32-44(33-37-49)54-27-13-19-42-15-4-6-23-52(42)54/h1-40H
InChIKeyCEPMWYPHUCRUFT-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-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-phenylaniline
CID 167003908
N-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501687
4-(2-carbazol-9-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N,3-diphenylaniline
CID 174310000
N-[3-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 118103056
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 162491110
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-[5-(2-phenylphenyl)naphthalen-1-yl]-N-[4-[5-(2-phenylphenyl)naphthalen-1-yl]phenyl]aniline
CID 170664617
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)phenanthren-3-amine
CID 174276936
N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)aniline
CID 167234687
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 146578366
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-3-(2-phenylphenyl)aniline
CID 167322827
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
4-(2-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 167528489

Frequently Asked Questions

What is the IUPAC name of 3-(3-carbazol-9-ylnaphthalen-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of 3-(3-carbazol-9-ylnaphthalen-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline (CID 170664561) is 3-(3-carbazol-9-ylnaphthalen-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for 3-(3-carbazol-9-ylnaphthalen-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for 3-(3-carbazol-9-ylnaphthalen-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline is c1cc(-c2cc3ccccc3cc2-n2c3ccccc3c3ccccc32)cc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3cccc4ccccc34)cc2)c1.
What is the InChIKey of 3-(3-carbazol-9-ylnaphthalen-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline?
The InChIKey is CEPMWYPHUCRUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2/c1-2-17-46-40-60(62-58-28-9-7-24-55(58)56-25-8-10-29-59(56)62)57(39-45(46)16-1)47-20-11-21-50(38-47)61(48-34-30-43(31-35-48)53-26-12-18-41-14-3-5-22-51(41)53)49-36-32-44(33-37-49)54-27-13-19-42-15-4-6-23-52(42)54/h1-40H.
What are the key properties of 3-(3-carbazol-9-ylnaphthalen-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline?
3-(3-carbazol-9-ylnaphthalen-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)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 3-(3-carbazol-9-ylnaphthalen-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 170664561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).