N-(5-methylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]cyclohexa-1,2,3,5-tetraen-1-amine

C37H30N2 — CID 155371747

IUPACN-(5-methylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]cyclohexa-1,2,3,5-tetraen-1-amine
SMILESCC1C=CC=C(N(C2=C=C=CC=C2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)C1
InChIInChI=1S/C37H30N2/c1-29-12-11-19-37(28-29)39(34-17-9-4-10-18-34)36-26-22-31(23-27-36)30-20-24-35(25-21-30)38(32-13-5-2-6-14-32)33-15-7-3-8-16-33/h2-9,11-17,19-27,29H,28H2,1H3
InChIKeyNWYDPHUCZMVXKF-UHFFFAOYSA-N
MW502.66 g/mol
LogP9.87
Rot. Bonds7

About N-(5-methylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]cyclohexa-1,2,3,5-tetraen-1-amine

N-(5-methylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]cyclohexa-1,2,3,5-tetraen-1-amine (PubChem CID 155371747) has the molecular formula C37H30N2 and a molecular weight of 502.66 g/mol. Its IUPAC name is N-(5-methylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]cyclohexa-1,2,3,5-tetraen-1-amine.

Molecular Properties

Compound NameN-(5-methylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]cyclohexa-1,2,3,5-tetraen-1-amine
PubChem CID155371747
Molecular FormulaC37H30N2
Molecular Weight502.66 g/mol
Exact Mass502.24
IUPAC NameN-(5-methylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]cyclohexa-1,2,3,5-tetraen-1-amine
SMILESCC1C=CC=C(N(C2=C=C=CC=C2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)C1
InChIInChI=1S/C37H30N2/c1-29-12-11-19-37(28-29)39(34-17-9-4-10-18-34)36-26-22-31(23-27-36)30-20-24-35(25-21-30)38(32-13-5-2-6-14-32)33-15-7-3-8-16-33/h2-9,11-17,19-27,29H,28H2,1H3
InChIKeyNWYDPHUCZMVXKF-UHFFFAOYSA-N
XLogP9.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.66
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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
N-cyclopenta-1,3-dien-1-yl-N-cyclopenta-1,2,4-trien-1-ylaniline
CID 134425987
N-(5-bromocyclohexa-1,3-dien-1-yl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 155483685
3-methyl-N-[4-[4-(N-(5-methylcyclohexa-1,3-dien-1-yl)anilino)cyclohex-3-en-1-yl]phenyl]-N-phenylaniline
CID 70831058
1-N-(6-methylcyclohexa-2,4-dien-1-yl)-4-N-[4-(2-methyl-N-(5-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-1-N-(2-methylphenyl)-4-N-[4-(N-(2-methylphenyl)anilino)phenyl]benzene-1,4-diamine
CID 130371059
N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane
CID 143515973
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
4-[5-[4-[cyclohexen-1-yl(cyclopenta-1,2,4-trien-1-yl)amino]phenyl]-3-pyridinyl]-N,N-diphenylaniline
CID 155085328
17-(5-methylcyclohexa-1,3-dien-1-yl)-N,N,3,10,24-pentakis-phenyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18,20,22,24,26(30),27-pentadecaen-6-amine
CID 71067161

Frequently Asked Questions

What is the IUPAC name of N-(5-methylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]cyclohexa-1,2,3,5-tetraen-1-amine?
The IUPAC name of N-(5-methylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]cyclohexa-1,2,3,5-tetraen-1-amine (CID 155371747) is N-(5-methylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]cyclohexa-1,2,3,5-tetraen-1-amine.
What is the SMILES notation for N-(5-methylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]cyclohexa-1,2,3,5-tetraen-1-amine?
The canonical SMILES for N-(5-methylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]cyclohexa-1,2,3,5-tetraen-1-amine is CC1C=CC=C(N(C2=C=C=CC=C2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)C1.
What is the InChIKey of N-(5-methylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]cyclohexa-1,2,3,5-tetraen-1-amine?
The InChIKey is NWYDPHUCZMVXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30N2/c1-29-12-11-19-37(28-29)39(34-17-9-4-10-18-34)36-26-22-31(23-27-36)30-20-24-35(25-21-30)38(32-13-5-2-6-14-32)33-15-7-3-8-16-33/h2-9,11-17,19-27,29H,28H2,1H3.
What are the key properties of N-(5-methylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]cyclohexa-1,2,3,5-tetraen-1-amine?
N-(5-methylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]cyclohexa-1,2,3,5-tetraen-1-amine has a molecular weight of 502.66 g/mol, XLogP of 9.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]cyclohexa-1,2,3,5-tetraen-1-amine is sourced from PubChem (CID 155371747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).