N-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]naphthalen-1-amine

C42H31N — CID 135258876

IUPACN-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]naphthalen-1-amine
SMILESc1ccc(C(=C(c2ccccc2)c2ccc(-c3ccc(Nc4cccc5ccccc45)cc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C42H31N/c1-4-14-34(15-5-1)41(35-16-6-2-7-17-35)42(36-18-8-3-9-19-36)37-25-23-31(24-26-37)32-27-29-38(30-28-32)43-40-22-12-20-33-13-10-11-21-39(33)40/h1-30,43H
InChIKeyJZNIUIIZDPNDPJ-UHFFFAOYSA-N
MW549.72 g/mol
LogP11.26
Rot. Bonds7

About N-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]naphthalen-1-amine

N-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]naphthalen-1-amine (PubChem CID 135258876) has the molecular formula C42H31N and a molecular weight of 549.72 g/mol. Its IUPAC name is N-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]naphthalen-1-amine
PubChem CID135258876
Molecular FormulaC42H31N
Molecular Weight549.72 g/mol
Exact Mass549.25
IUPAC NameN-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]naphthalen-1-amine
SMILESc1ccc(C(=C(c2ccccc2)c2ccc(-c3ccc(Nc4cccc5ccccc45)cc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C42H31N/c1-4-14-34(15-5-1)41(35-16-6-2-7-17-35)42(36-18-8-3-9-19-36)37-25-23-31(24-26-37)32-27-29-38(30-28-32)43-40-22-12-20-33-13-10-11-21-39(33)40/h1-30,43H
InChIKeyJZNIUIIZDPNDPJ-UHFFFAOYSA-N
XLogP11.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.72
LogP ≤ 511.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59029878
N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 58672315
2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline
CID 139322198
phenol;N-phenylnaphthalen-1-amine
CID 159146578
4-N-naphthalen-1-ylbenzene-1,4-diamine
CID 4764079
1-N-naphthalen-1-yl-4-N,4-N-bis[4-(naphthalen-1-ylamino)phenyl]benzene-1,4-diamine
CID 142741242
N-[4-[2-[4-(naphthalen-1-ylamino)phenyl]ethenyl]phenyl]naphthalen-1-amine
CID 69417086
benzylbenzene;ethane;bis(N-phenylnaphthalen-1-amine)
CID 157375605
N-(2,5-diphenylphenyl)naphthalen-1-amine
CID 174398533
N-[4-(2-phenylpropan-2-yl)phenyl]naphthalen-1-amine
CID 18331969
N-[4-[4-(naphthalen-1-ylamino)-2-phenylphenyl]-3-phenylphenyl]naphthalen-1-amine
CID 22134300
4-(4-anilinophenyl)-2-naphthalen-1-yl-N-phenylaniline
CID 66605145

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]naphthalen-1-amine?
The IUPAC name of N-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]naphthalen-1-amine (CID 135258876) is N-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]naphthalen-1-amine.
What is the SMILES notation for N-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]naphthalen-1-amine?
The canonical SMILES for N-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]naphthalen-1-amine is c1ccc(C(=C(c2ccccc2)c2ccc(-c3ccc(Nc4cccc5ccccc45)cc3)cc2)c2ccccc2)cc1.
What is the InChIKey of N-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]naphthalen-1-amine?
The InChIKey is JZNIUIIZDPNDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N/c1-4-14-34(15-5-1)41(35-16-6-2-7-17-35)42(36-18-8-3-9-19-36)37-25-23-31(24-26-37)32-27-29-38(30-28-32)43-40-22-12-20-33-13-10-11-21-39(33)40/h1-30,43H.
What are the key properties of N-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]naphthalen-1-amine?
N-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]naphthalen-1-amine has a molecular weight of 549.72 g/mol, XLogP of 11.26, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 135258876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).