N-(2,4-dimethylphenyl)-4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(2,2-diphenylethenyl)phenyl]naphthalen-1-amine

C54H43N — CID 123629815

IUPACN-(2,4-dimethylphenyl)-4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(2,2-diphenylethenyl)phenyl]naphthalen-1-amine
SMILESCc1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(C=CC=C(c3ccccc3)c3ccccc3)c3ccccc23)c(C)c1
InChIInChI=1S/C54H43N/c1-40-30-36-53(41(2)38-40)55(48-34-31-42(32-35-48)39-52(45-22-11-5-12-23-45)46-24-13-6-14-25-46)54-37-33-47(50-27-15-16-28-51(50)54)26-17-29-49(43-18-7-3-8-19-43)44-20-9-4-10-21-44/h3-39H,1-2H3
InChIKeyWBPNTTSEJKRCOZ-UHFFFAOYSA-N
MW705.95 g/mol
LogP14.66
Rot. Bonds10

About N-(2,4-dimethylphenyl)-4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(2,2-diphenylethenyl)phenyl]naphthalen-1-amine

N-(2,4-dimethylphenyl)-4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(2,2-diphenylethenyl)phenyl]naphthalen-1-amine (PubChem CID 123629815) has the molecular formula C54H43N and a molecular weight of 705.95 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(2,2-diphenylethenyl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(2,2-diphenylethenyl)phenyl]naphthalen-1-amine
PubChem CID123629815
Molecular FormulaC54H43N
Molecular Weight705.95 g/mol
Exact Mass705.34
IUPAC NameN-(2,4-dimethylphenyl)-4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(2,2-diphenylethenyl)phenyl]naphthalen-1-amine
SMILESCc1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(C=CC=C(c3ccccc3)c3ccccc3)c3ccccc23)c(C)c1
InChIInChI=1S/C54H43N/c1-40-30-36-53(41(2)38-40)55(48-34-31-42(32-35-48)39-52(45-22-11-5-12-23-45)46-24-13-6-14-25-46)54-37-33-47(50-27-15-16-28-51(50)54)26-17-29-49(43-18-7-3-8-19-43)44-20-9-4-10-21-44/h3-39H,1-2H3
InChIKeyWBPNTTSEJKRCOZ-UHFFFAOYSA-N
XLogP14.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.95
LogP ≤ 514.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-[2,2-bis(4-methylphenyl)ethenyl]-N-[4-(4,4-diphenylbuta-1,3-dienyl)naphthalen-1-yl]anilino]-3-methylphenyl]methanol
CID 123893028
N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-(4-methoxy-2-methylphenyl)naphthalen-1-amine
CID 88863961
4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-1-amine
CID 123864125
N-[4-[(E)-2-[2-[(E)-2-[4-[N-(2,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,4-dimethylaniline
CID 59833991
4-[2,2-bis(4-methylphenyl)ethenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-(4-methylphenyl)naphthalen-1-amine;4-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]-N-(4-methylphenyl)naphthalen-1-amine
CID 161213338
4-[2,2-bis(4-methylphenyl)ethenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-phenylnaphthalen-1-amine;4-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 157429569
N-[4-[(1E,3Z,4Z)-4-[(E)-2-[4-[N-(2,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]-3-ethylidenehepta-1,4,6-trienyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,4-dimethylaniline
CID 89146480
4-(4,4-diphenylbuta-1,3-dienyl)-N,N-bis[4-(2,2-diphenylethenyl)phenyl]aniline
CID 54461178
N,N-bis[4-(2,2-diphenylethenyl)phenyl]-2,4,6-trimethylaniline
CID 71344437
4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-1-amine
CID 123236013
(Z)-2-cyano-3-[4-[N-(2,4-dimethylphenyl)-4-[(Z)-2-(4-methylphenyl)-2-phenylethenyl]anilino]phenyl]prop-2-enoic acid
CID 173467144
(E)-3-[4-[N-(2,4-dimethylphenyl)-4-[2-(4-methylphenyl)-2-phenylethenyl]anilino]phenyl]-2-isocyanoprop-2-enoic acid
CID 59762718

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(2,2-diphenylethenyl)phenyl]naphthalen-1-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(2,2-diphenylethenyl)phenyl]naphthalen-1-amine (CID 123629815) is N-(2,4-dimethylphenyl)-4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(2,2-diphenylethenyl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(2,2-diphenylethenyl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(2,2-diphenylethenyl)phenyl]naphthalen-1-amine is Cc1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(C=CC=C(c3ccccc3)c3ccccc3)c3ccccc23)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(2,2-diphenylethenyl)phenyl]naphthalen-1-amine?
The InChIKey is WBPNTTSEJKRCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H43N/c1-40-30-36-53(41(2)38-40)55(48-34-31-42(32-35-48)39-52(45-22-11-5-12-23-45)46-24-13-6-14-25-46)54-37-33-47(50-27-15-16-28-51(50)54)26-17-29-49(43-18-7-3-8-19-43)44-20-9-4-10-21-44/h3-39H,1-2H3.
What are the key properties of N-(2,4-dimethylphenyl)-4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(2,2-diphenylethenyl)phenyl]naphthalen-1-amine?
N-(2,4-dimethylphenyl)-4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(2,2-diphenylethenyl)phenyl]naphthalen-1-amine has a molecular weight of 705.95 g/mol, XLogP of 14.66, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(2,2-diphenylethenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 123629815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).