9-[4-(2-cyclopentylnaphthalen-1-yl)phenyl]-10-naphthalen-2-ylanthracene

C45H34 — CID 59413180

IUPAC9-[4-(2-cyclopentylnaphthalen-1-yl)phenyl]-10-naphthalen-2-ylanthracene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5c(C6CCCC6)ccc6ccccc56)cc4)c4ccccc34)ccc2c1
InChIInChI=1S/C45H34/c1-4-15-35-29-36(26-21-30(35)11-1)45-41-19-9-7-17-39(41)44(40-18-8-10-20-42(40)45)34-24-22-33(23-25-34)43-37-16-6-5-14-32(37)27-28-38(43)31-12-2-3-13-31/h1,4-11,14-29,31H,2-3,12-13H2
InChIKeyYXQADHOEEPPMFC-UHFFFAOYSA-N
MW574.77 g/mol
LogP12.96
Rot. Bonds4

About 9-[4-(2-cyclopentylnaphthalen-1-yl)phenyl]-10-naphthalen-2-ylanthracene

9-[4-(2-cyclopentylnaphthalen-1-yl)phenyl]-10-naphthalen-2-ylanthracene (PubChem CID 59413180) has the molecular formula C45H34 and a molecular weight of 574.77 g/mol. Its IUPAC name is 9-[4-(2-cyclopentylnaphthalen-1-yl)phenyl]-10-naphthalen-2-ylanthracene.

Molecular Properties

Compound Name9-[4-(2-cyclopentylnaphthalen-1-yl)phenyl]-10-naphthalen-2-ylanthracene
PubChem CID59413180
Molecular FormulaC45H34
Molecular Weight574.77 g/mol
Exact Mass574.27
IUPAC Name9-[4-(2-cyclopentylnaphthalen-1-yl)phenyl]-10-naphthalen-2-ylanthracene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5c(C6CCCC6)ccc6ccccc56)cc4)c4ccccc34)ccc2c1
InChIInChI=1S/C45H34/c1-4-15-35-29-36(26-21-30(35)11-1)45-41-19-9-7-17-39(41)44(40-18-8-10-20-42(40)45)34-24-22-33(23-25-34)43-37-16-6-5-14-32(37)27-28-38(43)31-12-2-3-13-31/h1,4-11,14-29,31H,2-3,12-13H2
InChIKeyYXQADHOEEPPMFC-UHFFFAOYSA-N
XLogP12.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.77
LogP ≤ 512.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-[4-(2-cyclopentylnaphthalen-1-yl)phenyl]-10-naphthalen-2-ylanthracene 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

9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
7-(10-cyclopropylanthracen-2-yl)benzo[a]anthracene
CID 156676962
5,12-bis(3-naphthalen-2-ylphenyl)tetracene
CID 58434984
9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene
CID 59413057
[1-(2-cyclohexylnaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 155147383
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2-cyclopentylnaphthalen-1-yl)phenyl]-10-naphthalen-2-ylanthracene?
The IUPAC name of 9-[4-(2-cyclopentylnaphthalen-1-yl)phenyl]-10-naphthalen-2-ylanthracene (CID 59413180) is 9-[4-(2-cyclopentylnaphthalen-1-yl)phenyl]-10-naphthalen-2-ylanthracene.
What is the SMILES notation for 9-[4-(2-cyclopentylnaphthalen-1-yl)phenyl]-10-naphthalen-2-ylanthracene?
The canonical SMILES for 9-[4-(2-cyclopentylnaphthalen-1-yl)phenyl]-10-naphthalen-2-ylanthracene is c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5c(C6CCCC6)ccc6ccccc56)cc4)c4ccccc34)ccc2c1.
What is the InChIKey of 9-[4-(2-cyclopentylnaphthalen-1-yl)phenyl]-10-naphthalen-2-ylanthracene?
The InChIKey is YXQADHOEEPPMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34/c1-4-15-35-29-36(26-21-30(35)11-1)45-41-19-9-7-17-39(41)44(40-18-8-10-20-42(40)45)34-24-22-33(23-25-34)43-37-16-6-5-14-32(37)27-28-38(43)31-12-2-3-13-31/h1,4-11,14-29,31H,2-3,12-13H2.
What are the key properties of 9-[4-(2-cyclopentylnaphthalen-1-yl)phenyl]-10-naphthalen-2-ylanthracene?
9-[4-(2-cyclopentylnaphthalen-1-yl)phenyl]-10-naphthalen-2-ylanthracene has a molecular weight of 574.77 g/mol, XLogP of 12.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2-cyclopentylnaphthalen-1-yl)phenyl]-10-naphthalen-2-ylanthracene is sourced from PubChem (CID 59413180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).