1-[1-[3,5-bis(1-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene

C42H30 — CID 123405020

IUPAC1-[1-[3,5-bis(1-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene
SMILESC=C(c1cc(C(=C)c2cccc3ccccc23)cc(C(=C)c2cccc3ccccc23)c1)c1cccc2ccccc12
InChIInChI=1S/C42H30/c1-28(37-22-10-16-31-13-4-7-19-40(31)37)34-25-35(29(2)38-23-11-17-32-14-5-8-20-41(32)38)27-36(26-34)30(3)39-24-12-18-33-15-6-9-21-42(33)39/h4-27H,1-3H2
InChIKeyNUSFATAZVABITJ-UHFFFAOYSA-N
MW534.70 g/mol
LogP11.33
Rot. Bonds6

About 1-[1-[3,5-bis(1-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene

1-[1-[3,5-bis(1-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene (PubChem CID 123405020) has the molecular formula C42H30 and a molecular weight of 534.70 g/mol. Its IUPAC name is 1-[1-[3,5-bis(1-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene.

Molecular Properties

Compound Name1-[1-[3,5-bis(1-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene
PubChem CID123405020
Molecular FormulaC42H30
Molecular Weight534.70 g/mol
Exact Mass534.23
IUPAC Name1-[1-[3,5-bis(1-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene
SMILESC=C(c1cc(C(=C)c2cccc3ccccc23)cc(C(=C)c2cccc3ccccc23)c1)c1cccc2ccccc12
InChIInChI=1S/C42H30/c1-28(37-22-10-16-31-13-4-7-19-40(31)37)34-25-35(29(2)38-23-11-17-32-14-5-8-20-41(32)38)27-36(26-34)30(3)39-24-12-18-33-15-6-9-21-42(33)39/h4-27H,1-3H2
InChIKeyNUSFATAZVABITJ-UHFFFAOYSA-N
XLogP11.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.70
LogP ≤ 511.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[1-[3,5-bis(1-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 172736940
CID 172736940
1-(1-phenylethenyl)anthracene
CID 18944689
azane;1-prop-1-en-2-ylnaphthalene
CID 122612227
benzene-1,3,5-tricarboxylic acid;naphthalene-1-carboxylic acid
CID 70544806
N-(dinaphthalen-1-ylmethylidene)hydroxylamine
CID 88653107
4-methyl-1-naphthalen-1-ylpent-4-en-1-one
CID 114473529
12-naphthalen-1-yl-5-[1-(2-phenylphenyl)ethenyl]benzo[10]annulene
CID 123679016
3-(naphthalene-1-carbonyl)benzoate
CID 6947576
benzene-1,3-dicarboxylic acid;ethane-1,2-diol;naphthalene-1-carboxylic acid
CID 175531954
N-methyl-2-naphthalen-1-ylprop-2-en-1-imine
CID 139239744
[3-[3,5-bis(naphthalene-1-carbonyl)benzoyl]-5-(naphthalene-1-carbonyl)phenyl]-naphthalen-1-ylmethanone;ethane;methanethiol;propane
CID 143925290
N-(1-naphthalen-1-ylethenyl)formamide
CID 175490911

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3,5-bis(1-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene?
The IUPAC name of 1-[1-[3,5-bis(1-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene (CID 123405020) is 1-[1-[3,5-bis(1-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene.
What is the SMILES notation for 1-[1-[3,5-bis(1-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene?
The canonical SMILES for 1-[1-[3,5-bis(1-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene is C=C(c1cc(C(=C)c2cccc3ccccc23)cc(C(=C)c2cccc3ccccc23)c1)c1cccc2ccccc12.
What is the InChIKey of 1-[1-[3,5-bis(1-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene?
The InChIKey is NUSFATAZVABITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30/c1-28(37-22-10-16-31-13-4-7-19-40(31)37)34-25-35(29(2)38-23-11-17-32-14-5-8-20-41(32)38)27-36(26-34)30(3)39-24-12-18-33-15-6-9-21-42(33)39/h4-27H,1-3H2.
What are the key properties of 1-[1-[3,5-bis(1-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene?
1-[1-[3,5-bis(1-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene has a molecular weight of 534.70 g/mol, XLogP of 11.33, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3,5-bis(1-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene is sourced from PubChem (CID 123405020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).