N-[4-(2,2-diphenylethenyl)phenyl]-3-methyl-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine

C37H33N — CID 20762376

IUPACN-[4-(2,2-diphenylethenyl)phenyl]-3-methyl-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCc1cc2c(c(N(c3ccccc3)c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c1)CCCC2
InChIInChI=1S/C37H33N/c1-28-25-32-17-11-12-20-35(32)37(26-28)38(33-18-9-4-10-19-33)34-23-21-29(22-24-34)27-36(30-13-5-2-6-14-30)31-15-7-3-8-16-31/h2-10,13-16,18-19,21-27H,11-12,17,20H2,1H3
InChIKeyWPCJNLBKQBSEMT-UHFFFAOYSA-N
MW491.68 g/mol
LogP9.93
Rot. Bonds6

About N-[4-(2,2-diphenylethenyl)phenyl]-3-methyl-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine

N-[4-(2,2-diphenylethenyl)phenyl]-3-methyl-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 20762376) has the molecular formula C37H33N and a molecular weight of 491.68 g/mol. Its IUPAC name is N-[4-(2,2-diphenylethenyl)phenyl]-3-methyl-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(2,2-diphenylethenyl)phenyl]-3-methyl-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID20762376
Molecular FormulaC37H33N
Molecular Weight491.68 g/mol
Exact Mass491.26
IUPAC NameN-[4-(2,2-diphenylethenyl)phenyl]-3-methyl-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCc1cc2c(c(N(c3ccccc3)c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c1)CCCC2
InChIInChI=1S/C37H33N/c1-28-25-32-17-11-12-20-35(32)37(26-28)38(33-18-9-4-10-19-33)34-23-21-29(22-24-34)27-36(30-13-5-2-6-14-30)31-15-7-3-8-16-31/h2-10,13-16,18-19,21-27H,11-12,17,20H2,1H3
InChIKeyWPCJNLBKQBSEMT-UHFFFAOYSA-N
XLogP9.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.68
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis[4-(2,2-diphenylethenyl)phenyl]-2,4,6-trimethylaniline
CID 71344437
N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-(2-ethoxyethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 15476311
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
N,N-diphenyl-4-[2-phenyl-2-[4-[1-phenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 68997880
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-phenylnaphthalen-1-amine;4-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 157429569
4-N-[4-(2,2-diphenylethenyl)phenyl]-1-N,4-N-bis(2-methoxyphenyl)-1-N-phenylbenzene-1,4-diamine
CID 139847758
4-(N-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]anilino)benzaldehyde
CID 59080163
N-[4-[2-[4-[2-[4-[N-(3,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-3,4-dimethylaniline
CID 72573967
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
N-[4-[2-(4-methylphenyl)ethenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 54210687

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-diphenylethenyl)phenyl]-3-methyl-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[4-(2,2-diphenylethenyl)phenyl]-3-methyl-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine (CID 20762376) is N-[4-(2,2-diphenylethenyl)phenyl]-3-methyl-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[4-(2,2-diphenylethenyl)phenyl]-3-methyl-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[4-(2,2-diphenylethenyl)phenyl]-3-methyl-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine is Cc1cc2c(c(N(c3ccccc3)c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c1)CCCC2.
What is the InChIKey of N-[4-(2,2-diphenylethenyl)phenyl]-3-methyl-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is WPCJNLBKQBSEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33N/c1-28-25-32-17-11-12-20-35(32)37(26-28)38(33-18-9-4-10-19-33)34-23-21-29(22-24-34)27-36(30-13-5-2-6-14-30)31-15-7-3-8-16-31/h2-10,13-16,18-19,21-27H,11-12,17,20H2,1H3.
What are the key properties of N-[4-(2,2-diphenylethenyl)phenyl]-3-methyl-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine?
N-[4-(2,2-diphenylethenyl)phenyl]-3-methyl-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 491.68 g/mol, XLogP of 9.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-diphenylethenyl)phenyl]-3-methyl-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 20762376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).