4-(4-ethenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

C38H28N2 — CID 177116992

IUPAC4-(4-ethenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESC=Cc1ccc(-c2ccc(Nc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C38H28N2/c1-2-27-12-14-28(15-13-27)29-16-21-32(22-17-29)39-33-23-18-30(19-24-33)31-20-25-38-36(26-31)35-10-6-7-11-37(35)40(38)34-8-4-3-5-9-34/h2-26,39H,1H2
InChIKeyPQKZQVVLAHMXSL-UHFFFAOYSA-N
MW512.66 g/mol
LogP10.50
Rot. Bonds6

About 4-(4-ethenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

4-(4-ethenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (PubChem CID 177116992) has the molecular formula C38H28N2 and a molecular weight of 512.66 g/mol. Its IUPAC name is 4-(4-ethenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.

Molecular Properties

Compound Name4-(4-ethenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
PubChem CID177116992
Molecular FormulaC38H28N2
Molecular Weight512.66 g/mol
Exact Mass512.23
IUPAC Name4-(4-ethenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESC=Cc1ccc(-c2ccc(Nc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C38H28N2/c1-2-27-12-14-28(15-13-27)29-16-21-32(22-17-29)39-33-23-18-30(19-24-33)31-20-25-38-36(26-31)35-10-6-7-11-37(35)40(38)34-8-4-3-5-9-34/h2-26,39H,1H2
InChIKeyPQKZQVVLAHMXSL-UHFFFAOYSA-N
XLogP10.50
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.66
LogP ≤ 510.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline
CID 155015689
6,9-bis(4-ethenylphenyl)-N-phenylcarbazol-3-amine
CID 166764079
N-[4-(4-ethenylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 166647227
3,9-bis(4-ethenylphenyl)carbazole
CID 154999846
9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine
CID 118227253
4-[4-(4-ethenylphenyl)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 58568926
N-(4-fluorophenyl)-4-(9-phenylcarbazol-3-yl)aniline
CID 59828035
4-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
CID 59288178
3-(4-chlorophenyl)-9-(4-ethenylphenyl)carbazole
CID 154697373
N-(4-naphthalen-2-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59288183
N-phenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
CID 59828022
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The IUPAC name of 4-(4-ethenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (CID 177116992) is 4-(4-ethenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.
What is the SMILES notation for 4-(4-ethenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The canonical SMILES for 4-(4-ethenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is C=Cc1ccc(-c2ccc(Nc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 4-(4-ethenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The InChIKey is PQKZQVVLAHMXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N2/c1-2-27-12-14-28(15-13-27)29-16-21-32(22-17-29)39-33-23-18-30(19-24-33)31-20-25-38-36(26-31)35-10-6-7-11-37(35)40(38)34-8-4-3-5-9-34/h2-26,39H,1H2.
What are the key properties of 4-(4-ethenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
4-(4-ethenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline has a molecular weight of 512.66 g/mol, XLogP of 10.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is sourced from PubChem (CID 177116992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).