3-N,3-N-bis(4-phenylphenyl)cyclohexa-1,3-diene-1,3-diamine

C30H26N2 — CID 167515698

IUPAC3-N,3-N-bis(4-phenylphenyl)cyclohexa-1,3-diene-1,3-diamine
SMILESNC1=CC(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)=CCC1
InChIInChI=1S/C30H26N2/c31-27-12-7-13-30(22-27)32(28-18-14-25(15-19-28)23-8-3-1-4-9-23)29-20-16-26(17-21-29)24-10-5-2-6-11-24/h1-6,8-11,13-22H,7,12,31H2
InChIKeyJIUUERKBZKACMT-UHFFFAOYSA-N
MW414.55 g/mol
LogP7.68
Rot. Bonds5

About 3-N,3-N-bis(4-phenylphenyl)cyclohexa-1,3-diene-1,3-diamine

3-N,3-N-bis(4-phenylphenyl)cyclohexa-1,3-diene-1,3-diamine (PubChem CID 167515698) has the molecular formula C30H26N2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 3-N,3-N-bis(4-phenylphenyl)cyclohexa-1,3-diene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-bis(4-phenylphenyl)cyclohexa-1,3-diene-1,3-diamine
PubChem CID167515698
Molecular FormulaC30H26N2
Molecular Weight414.55 g/mol
Exact Mass414.21
IUPAC Name3-N,3-N-bis(4-phenylphenyl)cyclohexa-1,3-diene-1,3-diamine
SMILESNC1=CC(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)=CCC1
InChIInChI=1S/C30H26N2/c31-27-12-7-13-30(22-27)32(28-18-14-25(15-19-28)23-8-3-1-4-9-23)29-20-16-26(17-21-29)24-10-5-2-6-11-24/h1-6,8-11,13-22H,7,12,31H2
InChIKeyJIUUERKBZKACMT-UHFFFAOYSA-N
XLogP7.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 57.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-methylcyclohexa-1,5-dien-1-yl)-4-(4-methylphenyl)-N-phenylaniline
CID 143665043
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 89266505
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline;4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159709491
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 58876469
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
4-[4-(N-[4-(4-aminophenyl)phenyl]-4-phenylanilino)phenyl]aniline
CID 139760283
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844
1-N-phenyl-4-N,4-N-bis(4-phenylphenyl)-1-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 59742279

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-bis(4-phenylphenyl)cyclohexa-1,3-diene-1,3-diamine?
The IUPAC name of 3-N,3-N-bis(4-phenylphenyl)cyclohexa-1,3-diene-1,3-diamine (CID 167515698) is 3-N,3-N-bis(4-phenylphenyl)cyclohexa-1,3-diene-1,3-diamine.
What is the SMILES notation for 3-N,3-N-bis(4-phenylphenyl)cyclohexa-1,3-diene-1,3-diamine?
The canonical SMILES for 3-N,3-N-bis(4-phenylphenyl)cyclohexa-1,3-diene-1,3-diamine is NC1=CC(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)=CCC1.
What is the InChIKey of 3-N,3-N-bis(4-phenylphenyl)cyclohexa-1,3-diene-1,3-diamine?
The InChIKey is JIUUERKBZKACMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2/c31-27-12-7-13-30(22-27)32(28-18-14-25(15-19-28)23-8-3-1-4-9-23)29-20-16-26(17-21-29)24-10-5-2-6-11-24/h1-6,8-11,13-22H,7,12,31H2.
What are the key properties of 3-N,3-N-bis(4-phenylphenyl)cyclohexa-1,3-diene-1,3-diamine?
3-N,3-N-bis(4-phenylphenyl)cyclohexa-1,3-diene-1,3-diamine has a molecular weight of 414.55 g/mol, XLogP of 7.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-bis(4-phenylphenyl)cyclohexa-1,3-diene-1,3-diamine is sourced from PubChem (CID 167515698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).