N-cyclohexa-1,5-dien-1-yl-4-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline

C48H42N2 — CID 90939241

IUPACN-cyclohexa-1,5-dien-1-yl-4-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline
SMILESC1=CC(c2ccc(N(C3=CC=C(c4ccc(N(C5=CCCC=C5)c5ccc(-c6ccccc6)cc5)cc4)CC3)c3ccccc3)cc2)=CCC1
InChIInChI=1S/C48H42N2/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/h1,4-7,9,11-27,29-35H,2-3,8,10,28,36H2
InChIKeyTWGKWLICHOSLRN-UHFFFAOYSA-N
MW646.88 g/mol
LogP13.36
Rot. Bonds9

About N-cyclohexa-1,5-dien-1-yl-4-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline

N-cyclohexa-1,5-dien-1-yl-4-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline (PubChem CID 90939241) has the molecular formula C48H42N2 and a molecular weight of 646.88 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-4-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-4-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline
PubChem CID90939241
Molecular FormulaC48H42N2
Molecular Weight646.88 g/mol
Exact Mass646.33
IUPAC NameN-cyclohexa-1,5-dien-1-yl-4-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline
SMILESC1=CC(c2ccc(N(C3=CC=C(c4ccc(N(C5=CCCC=C5)c5ccc(-c6ccccc6)cc5)cc4)CC3)c3ccccc3)cc2)=CCC1
InChIInChI=1S/C48H42N2/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/h1,4-7,9,11-27,29-35H,2-3,8,10,28,36H2
InChIKeyTWGKWLICHOSLRN-UHFFFAOYSA-N
XLogP13.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.88
LogP ≤ 513.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexa-1,5-dien-1-yl-4-[4-[N-cyclohexa-1,5-dien-1-yl-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]-N-phenylaniline
CID 139394363
N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]aniline
CID 67121499
N-phenyl-4-[4-(N-(4-phenylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-[4-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 156569222
1-N,4-N,4-N-triphenyl-1-N-[4-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]cyclohexa-1,3-dien-1-yl]benzene-1,4-diamine
CID 89035334
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 129111085
4-[2-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)phenyl]phenyl]-N,3-diphenyl-N-(4-phenylphenyl)aniline
CID 155393010
N-cyclohexa-1,5-dien-1-yl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline
CID 71051952
N-cyclohexa-1,5-dien-1-yl-N-(cyclohexen-1-yl)-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 131995472
N-cyclohexa-1,5-dien-1-yl-4-methyl-N-phenylaniline;ethane
CID 144615927
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenyl-N,N-bis[3-phenyl-4-(4-phenylphenyl)phenyl]aniline
CID 166990153
4-[(2Z,4E)-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]-N,N-diphenylaniline
CID 166723523
4-(4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)benzaldehyde
CID 88863583

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-4-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-4-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline (CID 90939241) is N-cyclohexa-1,5-dien-1-yl-4-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-4-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-4-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline is C1=CC(c2ccc(N(C3=CC=C(c4ccc(N(C5=CCCC=C5)c5ccc(-c6ccccc6)cc5)cc4)CC3)c3ccccc3)cc2)=CCC1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-4-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline?
The InChIKey is TWGKWLICHOSLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42N2/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/h1,4-7,9,11-27,29-35H,2-3,8,10,28,36H2.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-4-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline?
N-cyclohexa-1,5-dien-1-yl-4-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline has a molecular weight of 646.88 g/mol, XLogP of 13.36, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-4-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 90939241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).