9-naphthalen-2-yl-2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)carbazole-2,4-diamine

C58H40N4 — CID 154965674

IUPAC9-naphthalen-2-yl-2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)carbazole-2,4-diamine
SMILESc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n(-c4ccc5ccccc5c4)c3c2)cc1
InChIInChI=1S/C58H40N4/c1-5-21-43(22-6-1)59(48-35-36-55-52(38-48)50-29-15-17-31-53(50)61(55)46-27-11-4-12-28-46)49-39-56(60(44-23-7-2-8-24-44)45-25-9-3-10-26-45)58-51-30-16-18-32-54(51)62(57(58)40-49)47-34-33-41-19-13-14-20-42(41)37-47/h1-40H
InChIKeyVTYRNJOFFRNDCG-UHFFFAOYSA-N
MW792.99 g/mol
LogP15.97
Rot. Bonds8

About 9-naphthalen-2-yl-2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)carbazole-2,4-diamine

9-naphthalen-2-yl-2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)carbazole-2,4-diamine (PubChem CID 154965674) has the molecular formula C58H40N4 and a molecular weight of 792.99 g/mol. Its IUPAC name is 9-naphthalen-2-yl-2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)carbazole-2,4-diamine.

Molecular Properties

Compound Name9-naphthalen-2-yl-2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)carbazole-2,4-diamine
PubChem CID154965674
Molecular FormulaC58H40N4
Molecular Weight792.99 g/mol
Exact Mass792.33
IUPAC Name9-naphthalen-2-yl-2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)carbazole-2,4-diamine
SMILESc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n(-c4ccc5ccccc5c4)c3c2)cc1
InChIInChI=1S/C58H40N4/c1-5-21-43(22-6-1)59(48-35-36-55-52(38-48)50-29-15-17-31-53(50)61(55)46-27-11-4-12-28-46)49-39-56(60(44-23-7-2-8-24-44)45-25-9-3-10-26-45)58-51-30-16-18-32-54(51)62(57(58)40-49)47-34-33-41-19-13-14-20-42(41)37-47/h1-40H
InChIKeyVTYRNJOFFRNDCG-UHFFFAOYSA-N
XLogP15.97
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.99
LogP ≤ 515.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-N,4-N,9-tetraphenyl-2-N-(5-phenylbenzo[b]carbazol-2-yl)carbazole-2,4-diamine;2-N,4-N,4-N,9-tetraphenyl-2-N-(7-phenylbenzo[c]carbazol-10-yl)carbazole-2,4-diamine;2-N,4-N,9-triphenyl-2-N,4-N-bis(9-phenylcarbazol-2-yl)carbazole-2,4-diamine
CID 157249821
4-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-9-naphthalen-2-yl-2-N,2-N,4-N-triphenylcarbazole-2,4-diamine
CID 154965960
2-N,2-N-di(dibenzothiophen-3-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine
CID 154965730
1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275896
N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 121311239
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
3,6-bis(4-carbazol-9-ylphenyl)-9-naphthalen-2-ylcarbazole;N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;4-[9-naphthalen-2-yl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;N-[4-[9-naphthalen-2-yl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 158432139
2-N,2-N-bis(9,9-diphenylfluoren-2-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine
CID 154965860
3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]-9-naphthalen-2-ylcarbazole;N,N-diphenyl-4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 159344155
2-N-dibenzothiophen-1-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine;2-N-dibenzothiophen-2-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine;2-N-dibenzothiophen-3-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine
CID 159922399
2-N-dibenzofuran-4-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine
CID 154965712

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)carbazole-2,4-diamine?
The IUPAC name of 9-naphthalen-2-yl-2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)carbazole-2,4-diamine (CID 154965674) is 9-naphthalen-2-yl-2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)carbazole-2,4-diamine.
What is the SMILES notation for 9-naphthalen-2-yl-2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)carbazole-2,4-diamine?
The canonical SMILES for 9-naphthalen-2-yl-2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)carbazole-2,4-diamine is c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n(-c4ccc5ccccc5c4)c3c2)cc1.
What is the InChIKey of 9-naphthalen-2-yl-2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)carbazole-2,4-diamine?
The InChIKey is VTYRNJOFFRNDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N4/c1-5-21-43(22-6-1)59(48-35-36-55-52(38-48)50-29-15-17-31-53(50)61(55)46-27-11-4-12-28-46)49-39-56(60(44-23-7-2-8-24-44)45-25-9-3-10-26-45)58-51-30-16-18-32-54(51)62(57(58)40-49)47-34-33-41-19-13-14-20-42(41)37-47/h1-40H.
What are the key properties of 9-naphthalen-2-yl-2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)carbazole-2,4-diamine?
9-naphthalen-2-yl-2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)carbazole-2,4-diamine has a molecular weight of 792.99 g/mol, XLogP of 15.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-2-yl-2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)carbazole-2,4-diamine is sourced from PubChem (CID 154965674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).