4-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline

C48H38N2 — CID 118296562

IUPAC4-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
SMILESC1=CCC(c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)C=C1
InChIInChI=1S/C48H38N2/c1-5-13-37(14-6-1)39-21-29-45(30-22-39)49(43-17-9-3-10-18-43)47-33-25-41(26-34-47)42-27-35-48(36-28-42)50(44-19-11-4-12-20-44)46-31-23-40(24-32-46)38-15-7-2-8-16-38/h1-15,17-36,38H,16H2
InChIKeyNZDXXQCTXKQFTB-UHFFFAOYSA-N
MW642.85 g/mol
LogP13.56
Rot. Bonds9

About 4-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline

4-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline (PubChem CID 118296562) has the molecular formula C48H38N2 and a molecular weight of 642.85 g/mol. Its IUPAC name is 4-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline.

Molecular Properties

Compound Name4-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
PubChem CID118296562
Molecular FormulaC48H38N2
Molecular Weight642.85 g/mol
Exact Mass642.30
IUPAC Name4-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
SMILESC1=CCC(c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)C=C1
InChIInChI=1S/C48H38N2/c1-5-13-37(14-6-1)39-21-29-45(30-22-39)49(43-17-9-3-10-18-43)47-33-25-41(26-34-47)42-27-35-48(36-28-42)50(44-19-11-4-12-20-44)46-31-23-40(24-32-46)38-15-7-2-8-16-38/h1-15,17-36,38H,16H2
InChIKeyNZDXXQCTXKQFTB-UHFFFAOYSA-N
XLogP13.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.85
LogP ≤ 513.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyclohexa-2,4-dien-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 90087282
4-cyclohexa-2,4-dien-1-yl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]aniline
CID 145474495
4-cyclohexa-2,4-dien-1-yl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 58569514
N-phenyl-N-(4-phenylphenyl)-4-[3-[4-(N-(4-phenylphenyl)anilino)phenyl]cyclohexa-2,4-dien-1-yl]aniline
CID 134426748
N-[2-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 167297637
3-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-phenyl-N-[4-[2-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]aniline
CID 170226725
N-(4-bromophenyl)-N-[4-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)phenyl]-4-phenylaniline
CID 170214346
4-cyclohexa-2,4-dien-1-yl-N,N-dimethylaniline
CID 13139019
1-cyclohexa-2,4-dien-1-yl-4-(4-iodophenyl)benzene
CID 126515673
7-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-7-N,17-N-bis(2-phenylphenyl)-17-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 164779502
N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline
CID 144687013
N-[4-[4-[4-(N-(3-benzylphenyl)-4-cyclohexa-2,4-dien-1-ylanilino)phenyl]phenyl]phenyl]-3-(cyclohexa-1,3-dien-1-ylmethyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline
CID 166978744

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline?
The IUPAC name of 4-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline (CID 118296562) is 4-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline.
What is the SMILES notation for 4-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline?
The canonical SMILES for 4-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline is C1=CCC(c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)C=C1.
What is the InChIKey of 4-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline?
The InChIKey is NZDXXQCTXKQFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38N2/c1-5-13-37(14-6-1)39-21-29-45(30-22-39)49(43-17-9-3-10-18-43)47-33-25-41(26-34-47)42-27-35-48(36-28-42)50(44-19-11-4-12-20-44)46-31-23-40(24-32-46)38-15-7-2-8-16-38/h1-15,17-36,38H,16H2.
What are the key properties of 4-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline?
4-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline has a molecular weight of 642.85 g/mol, XLogP of 13.56, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline is sourced from PubChem (CID 118296562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).