3-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-phenyl-N-[4-[2-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]aniline

C43H35N — CID 170226725

IUPAC3-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-phenyl-N-[4-[2-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]aniline
SMILESC/C=C\c1ccc2ccccc2c1-c1ccc(N(c2ccccc2)c2cccc(-c3ccc(C4C=CC=CC4)cc3)c2)cc1
InChIInChI=1S/C43H35N/c1-2-12-36-26-25-35-15-9-10-20-42(35)43(36)37-27-29-40(30-28-37)44(39-17-7-4-8-18-39)41-19-11-16-38(31-41)34-23-21-33(22-24-34)32-13-5-3-6-14-32/h2-13,15-32H,14H2,1H3/b12-2-
InChIKeyPJGQTSMOAYPDGS-OIXVIMQBSA-N
MW565.76 g/mol
LogP12.28
Rot. Bonds7

About 3-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-phenyl-N-[4-[2-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]aniline

3-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-phenyl-N-[4-[2-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]aniline (PubChem CID 170226725) has the molecular formula C43H35N and a molecular weight of 565.76 g/mol. Its IUPAC name is 3-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-phenyl-N-[4-[2-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]aniline.

Molecular Properties

Compound Name3-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-phenyl-N-[4-[2-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]aniline
PubChem CID170226725
Molecular FormulaC43H35N
Molecular Weight565.76 g/mol
Exact Mass565.28
IUPAC Name3-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-phenyl-N-[4-[2-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]aniline
SMILESC/C=C\c1ccc2ccccc2c1-c1ccc(N(c2ccccc2)c2cccc(-c3ccc(C4C=CC=CC4)cc3)c2)cc1
InChIInChI=1S/C43H35N/c1-2-12-36-26-25-35-15-9-10-20-42(35)43(36)37-27-29-40(30-28-37)44(39-17-7-4-8-18-39)41-19-11-16-38(31-41)34-23-21-33(22-24-34)32-13-5-3-6-14-32/h2-13,15-32H,14H2,1H3/b12-2-
InChIKeyPJGQTSMOAYPDGS-OIXVIMQBSA-N
XLogP12.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.76
LogP ≤ 512.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118296562
4-cyclohexa-2,4-dien-1-yl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 58569514
3-cyclohexa-2,4-dien-1-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]aniline
CID 166659713
N-(3-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172527571
N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527468
N,1-diphenyl-N-[3-[4-[3-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 176611838
N-[6-(4-cyclohexa-2,4-dien-1-ylphenyl)-9-phenylcarbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-amine
CID 163564194
N-(3-naphthalen-2-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062788
6-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-11-N-naphthalen-1-yl-6-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,11-diamine
CID 168855510
N-(4-cyclohexa-2,4-dien-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 90087282
9-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 88986884
4-cyclohexa-2,4-dien-1-yl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]aniline
CID 145474495

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-phenyl-N-[4-[2-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]aniline?
The IUPAC name of 3-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-phenyl-N-[4-[2-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]aniline (CID 170226725) is 3-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-phenyl-N-[4-[2-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]aniline.
What is the SMILES notation for 3-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-phenyl-N-[4-[2-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]aniline?
The canonical SMILES for 3-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-phenyl-N-[4-[2-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]aniline is C/C=C\c1ccc2ccccc2c1-c1ccc(N(c2ccccc2)c2cccc(-c3ccc(C4C=CC=CC4)cc3)c2)cc1.
What is the InChIKey of 3-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-phenyl-N-[4-[2-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]aniline?
The InChIKey is PJGQTSMOAYPDGS-OIXVIMQBSA-N. The full InChI is InChI=1S/C43H35N/c1-2-12-36-26-25-35-15-9-10-20-42(35)43(36)37-27-29-40(30-28-37)44(39-17-7-4-8-18-39)41-19-11-16-38(31-41)34-23-21-33(22-24-34)32-13-5-3-6-14-32/h2-13,15-32H,14H2,1H3/b12-2-.
What are the key properties of 3-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-phenyl-N-[4-[2-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]aniline?
3-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-phenyl-N-[4-[2-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]aniline has a molecular weight of 565.76 g/mol, XLogP of 12.28, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-phenyl-N-[4-[2-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]aniline is sourced from PubChem (CID 170226725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).