4-(4-ethenylphenyl)-N,N-bis(4-phenyl-1-propan-2-ylcyclohexa-2,4-dien-1-yl)aniline

C44H45N — CID 69429761

IUPAC4-(4-ethenylphenyl)-N,N-bis(4-phenyl-1-propan-2-ylcyclohexa-2,4-dien-1-yl)aniline
SMILESC=Cc1ccc(-c2ccc(N(C3(C(C)C)C=CC(c4ccccc4)=CC3)C3(C(C)C)C=CC(c4ccccc4)=CC3)cc2)cc1
InChIInChI=1S/C44H45N/c1-6-35-17-19-38(20-18-35)39-21-23-42(24-22-39)45(43(33(2)3)29-25-40(26-30-43)36-13-9-7-10-14-36)44(34(4)5)31-27-41(28-32-44)37-15-11-8-12-16-37/h6-29,31,33-34H,1,30,32H2,2-5H3
InChIKeyFWTDSUMMRVINSQ-UHFFFAOYSA-N
MW587.85 g/mol
LogP11.68
Rot. Bonds9

About 4-(4-ethenylphenyl)-N,N-bis(4-phenyl-1-propan-2-ylcyclohexa-2,4-dien-1-yl)aniline

4-(4-ethenylphenyl)-N,N-bis(4-phenyl-1-propan-2-ylcyclohexa-2,4-dien-1-yl)aniline (PubChem CID 69429761) has the molecular formula C44H45N and a molecular weight of 587.85 g/mol. Its IUPAC name is 4-(4-ethenylphenyl)-N,N-bis(4-phenyl-1-propan-2-ylcyclohexa-2,4-dien-1-yl)aniline.

Molecular Properties

Compound Name4-(4-ethenylphenyl)-N,N-bis(4-phenyl-1-propan-2-ylcyclohexa-2,4-dien-1-yl)aniline
PubChem CID69429761
Molecular FormulaC44H45N
Molecular Weight587.85 g/mol
Exact Mass587.36
IUPAC Name4-(4-ethenylphenyl)-N,N-bis(4-phenyl-1-propan-2-ylcyclohexa-2,4-dien-1-yl)aniline
SMILESC=Cc1ccc(-c2ccc(N(C3(C(C)C)C=CC(c4ccccc4)=CC3)C3(C(C)C)C=CC(c4ccccc4)=CC3)cc2)cc1
InChIInChI=1S/C44H45N/c1-6-35-17-19-38(20-18-35)39-21-23-42(24-22-39)45(43(33(2)3)29-25-40(26-30-43)36-13-9-7-10-14-36)44(34(4)5)31-27-41(28-32-44)37-15-11-8-12-16-37/h6-29,31,33-34H,1,30,32H2,2-5H3
InChIKeyFWTDSUMMRVINSQ-UHFFFAOYSA-N
XLogP11.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.85
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethenyl-N,N-diphenylaniline;4-ethenyl-N-phenyl-N-(4-phenylphenyl)aniline
CID 162186031
1-N,1-N'-bis(4-methylphenyl)-1-N,1-N',4-triphenylcyclohexa-2,4-diene-1,1-diamine
CID 66967892
N,N-diphenyl-4-[4-(N-phenylanilino)-4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline
CID 156696923
1-ethenyl-4-phenylcyclohexa-2,4-dien-1-ol
CID 174438236
4-(4-phenylphenyl)-1-prop-2-enylcyclohexa-2,4-diene-1-carbonitrile
CID 67941375
4-(4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 134194276
1-[4-(4-ethenylphenyl)phenyl]-2,3,4,5,6-pentakis-phenylbenzene
CID 100913685
1-ethenoxy-4-phenylcyclohexa-2,4-dien-1-ol
CID 175013604
1-(dimethylamino)-4-phenylcyclohexa-2,4-diene-1-carbaldehyde
CID 142770895
4-[2-[4-(4-ethenylphenyl)phenyl]ethenyl]-N,N-diphenylaniline
CID 142226896
1-methyl-4-phenylcyclohexa-2,4-dien-1-ol
CID 70019499
5-fluoro-5-methoxy-2-phenylcyclohexa-1,3-diene
CID 174457167

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethenylphenyl)-N,N-bis(4-phenyl-1-propan-2-ylcyclohexa-2,4-dien-1-yl)aniline?
The IUPAC name of 4-(4-ethenylphenyl)-N,N-bis(4-phenyl-1-propan-2-ylcyclohexa-2,4-dien-1-yl)aniline (CID 69429761) is 4-(4-ethenylphenyl)-N,N-bis(4-phenyl-1-propan-2-ylcyclohexa-2,4-dien-1-yl)aniline.
What is the SMILES notation for 4-(4-ethenylphenyl)-N,N-bis(4-phenyl-1-propan-2-ylcyclohexa-2,4-dien-1-yl)aniline?
The canonical SMILES for 4-(4-ethenylphenyl)-N,N-bis(4-phenyl-1-propan-2-ylcyclohexa-2,4-dien-1-yl)aniline is C=Cc1ccc(-c2ccc(N(C3(C(C)C)C=CC(c4ccccc4)=CC3)C3(C(C)C)C=CC(c4ccccc4)=CC3)cc2)cc1.
What is the InChIKey of 4-(4-ethenylphenyl)-N,N-bis(4-phenyl-1-propan-2-ylcyclohexa-2,4-dien-1-yl)aniline?
The InChIKey is FWTDSUMMRVINSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H45N/c1-6-35-17-19-38(20-18-35)39-21-23-42(24-22-39)45(43(33(2)3)29-25-40(26-30-43)36-13-9-7-10-14-36)44(34(4)5)31-27-41(28-32-44)37-15-11-8-12-16-37/h6-29,31,33-34H,1,30,32H2,2-5H3.
What are the key properties of 4-(4-ethenylphenyl)-N,N-bis(4-phenyl-1-propan-2-ylcyclohexa-2,4-dien-1-yl)aniline?
4-(4-ethenylphenyl)-N,N-bis(4-phenyl-1-propan-2-ylcyclohexa-2,4-dien-1-yl)aniline has a molecular weight of 587.85 g/mol, XLogP of 11.68, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethenylphenyl)-N,N-bis(4-phenyl-1-propan-2-ylcyclohexa-2,4-dien-1-yl)aniline is sourced from PubChem (CID 69429761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).