N-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,3-dimethylbutan-2-yl)phenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine

C32H35N — CID 138705955

IUPACN-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,3-dimethylbutan-2-yl)phenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
SMILESCC(C)C(C)(C)c1ccc(-c2ccc(N(C3=CCCC=C3)c3ccc4c(c3)CC4)cc2)cc1
InChIInChI=1S/C32H35N/c1-23(2)32(3,4)28-17-12-24(13-18-28)25-14-19-30(20-15-25)33(29-8-6-5-7-9-29)31-21-16-26-10-11-27(26)22-31/h6,8-9,12-23H,5,7,10-11H2,1-4H3
InChIKeyUEXDZQZUDNGLAB-UHFFFAOYSA-N
MW433.64 g/mol
LogP8.76
Rot. Bonds6

About N-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,3-dimethylbutan-2-yl)phenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine

N-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,3-dimethylbutan-2-yl)phenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine (PubChem CID 138705955) has the molecular formula C32H35N and a molecular weight of 433.64 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,3-dimethylbutan-2-yl)phenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,3-dimethylbutan-2-yl)phenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
PubChem CID138705955
Molecular FormulaC32H35N
Molecular Weight433.64 g/mol
Exact Mass433.28
IUPAC NameN-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,3-dimethylbutan-2-yl)phenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
SMILESCC(C)C(C)(C)c1ccc(-c2ccc(N(C3=CCCC=C3)c3ccc4c(c3)CC4)cc2)cc1
InChIInChI=1S/C32H35N/c1-23(2)32(3,4)28-17-12-24(13-18-28)25-14-19-30(20-15-25)33(29-8-6-5-7-9-29)31-21-16-26-10-11-27(26)22-31/h6,8-9,12-23H,5,7,10-11H2,1-4H3
InChIKeyUEXDZQZUDNGLAB-UHFFFAOYSA-N
XLogP8.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.64
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,3-dimethylbutan-2-yl)phenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine with MolForge

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Related Compounds

4-tert-butyl-N-(4-tert-butylphenyl)-N-cyclohexa-1,5-dien-1-ylaniline;ethane
CID 142315205
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
N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
CID 122451349
4-[3-tert-butyl-12-[4-(N-phenylanilino)phenyl]chrysen-6-yl]-N-cyclohexa-1,5-dien-1-yl-N-phenylaniline
CID 90833683
N,N-bis(4-propan-2-ylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
CID 70936264
N-cyclohexa-1,5-dien-1-yl-4-methyl-N-phenylaniline;ethane
CID 144615927
4-N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-4-N-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-4-(4-methyl-N-(4-methylphenyl)anilino)anilino]phenyl]-1-N,1-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 144971641
4-N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1-N,1-N,4-N-tris(4-methylphenyl)benzene-1,4-diamine
CID 158470830
1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-[N-(7,8-dihydronaphthalen-2-yl)anilino]phenyl]-1-N-naphthalen-2-yl-4-N-[4-(N-naphthalen-2-ylanilino)phenyl]benzene-1,4-diamine
CID 89189824
1-N,3-N-bis(4-tert-butylphenyl)-3-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 123682396
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
14-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene-5,6-dicarbonitrile
CID 126538222

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,3-dimethylbutan-2-yl)phenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,3-dimethylbutan-2-yl)phenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine (CID 138705955) is N-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,3-dimethylbutan-2-yl)phenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,3-dimethylbutan-2-yl)phenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,3-dimethylbutan-2-yl)phenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine is CC(C)C(C)(C)c1ccc(-c2ccc(N(C3=CCCC=C3)c3ccc4c(c3)CC4)cc2)cc1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,3-dimethylbutan-2-yl)phenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine?
The InChIKey is UEXDZQZUDNGLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N/c1-23(2)32(3,4)28-17-12-24(13-18-28)25-14-19-30(20-15-25)33(29-8-6-5-7-9-29)31-21-16-26-10-11-27(26)22-31/h6,8-9,12-23H,5,7,10-11H2,1-4H3.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,3-dimethylbutan-2-yl)phenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine?
N-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,3-dimethylbutan-2-yl)phenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine has a molecular weight of 433.64 g/mol, XLogP of 8.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,3-dimethylbutan-2-yl)phenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine is sourced from PubChem (CID 138705955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).