ethane;N-phenyl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-1-amine

C48H38N2 — CID 143813910

IUPACethane;N-phenyl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-1-amine
SMILESCC.c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc34)cc2)cc1
InChIInChI=1S/C46H32N2.C2H6/c1-4-14-33(15-5-1)34-26-29-38(30-27-34)47(36-16-6-2-7-17-36)44-25-13-22-40-39(21-12-23-41(40)44)35-28-31-46-43(32-35)42-20-10-11-24-45(42)48(46)37-18-8-3-9-19-37;1-2/h1-32H;1-2H3
InChIKeyHBISRYSAGWQNDA-UHFFFAOYSA-N
MW642.85 g/mol
LogP13.77
Rot. Bonds6

About ethane;N-phenyl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-1-amine

ethane;N-phenyl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 143813910) has the molecular formula C48H38N2 and a molecular weight of 642.85 g/mol. Its IUPAC name is ethane;N-phenyl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound Nameethane;N-phenyl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-1-amine
PubChem CID143813910
Molecular FormulaC48H38N2
Molecular Weight642.85 g/mol
Exact Mass642.30
IUPAC Nameethane;N-phenyl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-1-amine
SMILESCC.c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc34)cc2)cc1
InChIInChI=1S/C46H32N2.C2H6/c1-4-14-33(15-5-1)34-26-29-38(30-27-34)47(36-16-6-2-7-17-36)44-25-13-22-40-39(21-12-23-41(40)44)35-28-31-46-43(32-35)42-20-10-11-24-45(42)48(46)37-18-8-3-9-19-37;1-2/h1-32H;1-2H3
InChIKeyHBISRYSAGWQNDA-UHFFFAOYSA-N
XLogP13.77
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.85
LogP ≤ 513.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 71038259
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylaniline;2-phenyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;2-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 158204517
4-[9-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]carbazol-3-yl]-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 130397476
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503183
N,2-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
CID 169016116
2-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline;5-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)naphthalen-1-amine;6-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine;4-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 157115860
2-[3-(6,9-diphenylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118289340
N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502041
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 167019949
N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502793
4-(9-phenylcarbazol-2-yl)-N,N-bis[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphthalen-1-amine;4-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
CID 158955630

Frequently Asked Questions

What is the IUPAC name of ethane;N-phenyl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of ethane;N-phenyl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-1-amine (CID 143813910) is ethane;N-phenyl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for ethane;N-phenyl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for ethane;N-phenyl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-1-amine is CC.c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc34)cc2)cc1.
What is the InChIKey of ethane;N-phenyl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-1-amine?
The InChIKey is HBISRYSAGWQNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2.C2H6/c1-4-14-33(15-5-1)34-26-29-38(30-27-34)47(36-16-6-2-7-17-36)44-25-13-22-40-39(21-12-23-41(40)44)35-28-31-46-43(32-35)42-20-10-11-24-45(42)48(46)37-18-8-3-9-19-37;1-2/h1-32H;1-2H3.
What are the key properties of ethane;N-phenyl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-1-amine?
ethane;N-phenyl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 642.85 g/mol, XLogP of 13.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-phenyl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 143813910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).