N-(5-bromocyclohexa-1,3-dien-1-yl)-4-phenyl-N-(4-phenylphenyl)aniline

C30H24BrN — CID 155483685

IUPACN-(5-bromocyclohexa-1,3-dien-1-yl)-4-phenyl-N-(4-phenylphenyl)aniline
SMILESBrC1C=CC=C(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C30H24BrN/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/h1-21,27H,22H2
InChIKeySZRONUBMUKQEOZ-UHFFFAOYSA-N
MW478.43 g/mol
LogP8.77
Rot. Bonds5

About N-(5-bromocyclohexa-1,3-dien-1-yl)-4-phenyl-N-(4-phenylphenyl)aniline

N-(5-bromocyclohexa-1,3-dien-1-yl)-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 155483685) has the molecular formula C30H24BrN and a molecular weight of 478.43 g/mol. Its IUPAC name is N-(5-bromocyclohexa-1,3-dien-1-yl)-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(5-bromocyclohexa-1,3-dien-1-yl)-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID155483685
Molecular FormulaC30H24BrN
Molecular Weight478.43 g/mol
Exact Mass477.11
IUPAC NameN-(5-bromocyclohexa-1,3-dien-1-yl)-4-phenyl-N-(4-phenylphenyl)aniline
SMILESBrC1C=CC=C(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C30H24BrN/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/h1-21,27H,22H2
InChIKeySZRONUBMUKQEOZ-UHFFFAOYSA-N
XLogP8.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.43
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 146294835
3-methyl-N-(5-methylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 89375037
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,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-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-(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
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711

Frequently Asked Questions

What is the IUPAC name of N-(5-bromocyclohexa-1,3-dien-1-yl)-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-(5-bromocyclohexa-1,3-dien-1-yl)-4-phenyl-N-(4-phenylphenyl)aniline (CID 155483685) is N-(5-bromocyclohexa-1,3-dien-1-yl)-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(5-bromocyclohexa-1,3-dien-1-yl)-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-(5-bromocyclohexa-1,3-dien-1-yl)-4-phenyl-N-(4-phenylphenyl)aniline is BrC1C=CC=C(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of N-(5-bromocyclohexa-1,3-dien-1-yl)-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is SZRONUBMUKQEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24BrN/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/h1-21,27H,22H2.
What are the key properties of N-(5-bromocyclohexa-1,3-dien-1-yl)-4-phenyl-N-(4-phenylphenyl)aniline?
N-(5-bromocyclohexa-1,3-dien-1-yl)-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 478.43 g/mol, XLogP of 8.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromocyclohexa-1,3-dien-1-yl)-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 155483685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).