6-ethenyl-N-[4-(4-methylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine

C45H34N2 — CID 166763972

IUPAC6-ethenyl-N-[4-(4-methylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
SMILESC=Cc1ccc2c(c1)c1cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(C)cc4)cc3)ccc1n2-c1ccccc1
InChIInChI=1S/C45H34N2/c1-3-33-16-28-44-42(30-33)43-31-41(27-29-45(43)47(44)38-12-8-5-9-13-38)46(39-23-19-36(20-24-39)34-10-6-4-7-11-34)40-25-21-37(22-26-40)35-17-14-32(2)15-18-35/h3-31H,1H2,2H3
InChIKeyJEQRVZGYRMCIHL-UHFFFAOYSA-N
MW602.78 g/mol
LogP12.54
Rot. Bonds7

About 6-ethenyl-N-[4-(4-methylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine

6-ethenyl-N-[4-(4-methylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine (PubChem CID 166763972) has the molecular formula C45H34N2 and a molecular weight of 602.78 g/mol. Its IUPAC name is 6-ethenyl-N-[4-(4-methylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound Name6-ethenyl-N-[4-(4-methylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
PubChem CID166763972
Molecular FormulaC45H34N2
Molecular Weight602.78 g/mol
Exact Mass602.27
IUPAC Name6-ethenyl-N-[4-(4-methylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
SMILESC=Cc1ccc2c(c1)c1cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(C)cc4)cc3)ccc1n2-c1ccccc1
InChIInChI=1S/C45H34N2/c1-3-33-16-28-44-42(30-33)43-31-41(27-29-45(43)47(44)38-12-8-5-9-13-38)46(39-23-19-36(20-24-39)34-10-6-4-7-11-34)40-25-21-37(22-26-40)35-17-14-32(2)15-18-35/h3-31H,1H2,2H3
InChIKeyJEQRVZGYRMCIHL-UHFFFAOYSA-N
XLogP12.54
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.78
LogP ≤ 512.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethenyl-N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 166764286
6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 139320793
N-[4-[9-(4-ethenylphenyl)-6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 142340184
1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 163786005
2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)-5,11-diphenylindolo[3,2-b]carbazole-2,8-diamine
CID 58501357
4-[4-(4-ethenylphenyl)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 58568926
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
N-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 138467755
4-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-4-N-[4-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 137428819
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-N-[4-(4-methylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine?
The IUPAC name of 6-ethenyl-N-[4-(4-methylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine (CID 166763972) is 6-ethenyl-N-[4-(4-methylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for 6-ethenyl-N-[4-(4-methylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine?
The canonical SMILES for 6-ethenyl-N-[4-(4-methylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine is C=Cc1ccc2c(c1)c1cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(C)cc4)cc3)ccc1n2-c1ccccc1.
What is the InChIKey of 6-ethenyl-N-[4-(4-methylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine?
The InChIKey is JEQRVZGYRMCIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34N2/c1-3-33-16-28-44-42(30-33)43-31-41(27-29-45(43)47(44)38-12-8-5-9-13-38)46(39-23-19-36(20-24-39)34-10-6-4-7-11-34)40-25-21-37(22-26-40)35-17-14-32(2)15-18-35/h3-31H,1H2,2H3.
What are the key properties of 6-ethenyl-N-[4-(4-methylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine?
6-ethenyl-N-[4-(4-methylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine has a molecular weight of 602.78 g/mol, XLogP of 12.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-N-[4-(4-methylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 166763972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).