N-cyclohexa-1,3-dien-1-yl-N-phenyl-4-(10-phenylanthracen-9-yl)aniline

C38H29N — CID 143438550

IUPACN-cyclohexa-1,3-dien-1-yl-N-phenyl-4-(10-phenylanthracen-9-yl)aniline
SMILESC1=CCCC(N(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)=C1
InChIInChI=1S/C38H29N/c1-4-14-28(15-5-1)37-33-20-10-12-22-35(33)38(36-23-13-11-21-34(36)37)29-24-26-32(27-25-29)39(30-16-6-2-7-17-30)31-18-8-3-9-19-31/h1-8,10-18,20-27H,9,19H2
InChIKeyFGKILIRNAXKGNE-UHFFFAOYSA-N
MW499.66 g/mol
LogP10.70
Rot. Bonds5

About N-cyclohexa-1,3-dien-1-yl-N-phenyl-4-(10-phenylanthracen-9-yl)aniline

N-cyclohexa-1,3-dien-1-yl-N-phenyl-4-(10-phenylanthracen-9-yl)aniline (PubChem CID 143438550) has the molecular formula C38H29N and a molecular weight of 499.66 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-N-phenyl-4-(10-phenylanthracen-9-yl)aniline.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-N-phenyl-4-(10-phenylanthracen-9-yl)aniline
PubChem CID143438550
Molecular FormulaC38H29N
Molecular Weight499.66 g/mol
Exact Mass499.23
IUPAC NameN-cyclohexa-1,3-dien-1-yl-N-phenyl-4-(10-phenylanthracen-9-yl)aniline
SMILESC1=CCCC(N(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)=C1
InChIInChI=1S/C38H29N/c1-4-14-28(15-5-1)37-33-20-10-12-22-35(33)38(36-23-13-11-21-34(36)37)29-24-26-32(27-25-29)39(30-16-6-2-7-17-30)31-18-8-3-9-19-31/h1-8,10-18,20-27H,9,19H2
InChIKeyFGKILIRNAXKGNE-UHFFFAOYSA-N
XLogP10.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.66
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexa-1,3-dien-1-yl-4-[4-(4-methylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline
CID 134171912
2-N-cyclohexa-1,3-dien-1-yl-8-N-phenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 135189546
4-tert-butyl-N-cyclohexa-1,3-dien-1-yl-N-phenylaniline
CID 163765036
N-cyclohexa-1,3-dien-1-yl-4-methyl-3-[3-[2-methyl-5-(N-phenylanilino)phenyl]-2-phenylphenyl]-N-phenylaniline
CID 144565283
N-cyclohexa-1,3-dien-1-yl-N-phenyl-4-[4-(N-phenylanilino)phenyl]sulfonylaniline
CID 170319221
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59221806
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-cyclohexa-1,3-dien-1-yl-N-(4-methylphenyl)naphthalen-1-amine
CID 129170977
9-N-cyclohexa-1,3-dien-1-yl-7,7-dimethyl-5-N,5-N,9-N-triphenylbenzo[c]fluorene-5,9-diamine
CID 131994114
N-[4-[4-[4-[4-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 145063466
N-cyclohexa-1,3-dien-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-3-amine
CID 137469184
3-(4-bromophenyl)-N-cyclohexa-1,3-dien-1-yl-N-(4-dibenzothiophen-2-ylphenyl)aniline
CID 144990293

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-phenyl-4-(10-phenylanthracen-9-yl)aniline?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-phenyl-4-(10-phenylanthracen-9-yl)aniline (CID 143438550) is N-cyclohexa-1,3-dien-1-yl-N-phenyl-4-(10-phenylanthracen-9-yl)aniline.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-N-phenyl-4-(10-phenylanthracen-9-yl)aniline?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-N-phenyl-4-(10-phenylanthracen-9-yl)aniline is C1=CCCC(N(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)=C1.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-N-phenyl-4-(10-phenylanthracen-9-yl)aniline?
The InChIKey is FGKILIRNAXKGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H29N/c1-4-14-28(15-5-1)37-33-20-10-12-22-35(33)38(36-23-13-11-21-34(36)37)29-24-26-32(27-25-29)39(30-16-6-2-7-17-30)31-18-8-3-9-19-31/h1-8,10-18,20-27H,9,19H2.
What are the key properties of N-cyclohexa-1,3-dien-1-yl-N-phenyl-4-(10-phenylanthracen-9-yl)aniline?
N-cyclohexa-1,3-dien-1-yl-N-phenyl-4-(10-phenylanthracen-9-yl)aniline has a molecular weight of 499.66 g/mol, XLogP of 10.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-N-phenyl-4-(10-phenylanthracen-9-yl)aniline is sourced from PubChem (CID 143438550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).