1,1,2,3,4-pentakis-phenyl-2H-naphthalene

C40H30 — CID 102532402

IUPAC1,1,2,3,4-pentakis-phenyl-2H-naphthalene
SMILESc1ccc(C2=C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C40H30/c1-6-18-30(19-7-1)37-35-28-16-17-29-36(35)40(33-24-12-4-13-25-33,34-26-14-5-15-27-34)39(32-22-10-3-11-23-32)38(37)31-20-8-2-9-21-31/h1-29,39H
InChIKeyCJUIECILCRGQGE-UHFFFAOYSA-N
MW510.68 g/mol
LogP9.78
Rot. Bonds5

About 1,1,2,3,4-pentakis-phenyl-2H-naphthalene

1,1,2,3,4-pentakis-phenyl-2H-naphthalene (PubChem CID 102532402) has the molecular formula C40H30 and a molecular weight of 510.68 g/mol. Its IUPAC name is 1,1,2,3,4-pentakis-phenyl-2H-naphthalene.

Molecular Properties

Compound Name1,1,2,3,4-pentakis-phenyl-2H-naphthalene
PubChem CID102532402
Molecular FormulaC40H30
Molecular Weight510.68 g/mol
Exact Mass510.23
IUPAC Name1,1,2,3,4-pentakis-phenyl-2H-naphthalene
SMILESc1ccc(C2=C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C40H30/c1-6-18-30(19-7-1)37-35-28-16-17-29-36(35)40(33-24-12-4-13-25-33,34-26-14-5-15-27-34)39(32-22-10-3-11-23-32)38(37)31-20-8-2-9-21-31/h1-29,39H
InChIKeyCJUIECILCRGQGE-UHFFFAOYSA-N
XLogP9.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.68
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,2,3,4-pentakis-phenyl-2H-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

(2S)-7-methoxy-1,1,2,3,4-pentakis(4-methoxyphenyl)-2H-naphthalene
CID 139093931
9-cyclopentyl-9-phenylfluorene
CID 59853281
CID 173257696
CID 173257696
CID 176908740
CID 176908740
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 140873482
2',3'-diphenylspiro[dioxirane-3,1'-indene]
CID 57211511
2,3,4,5-tetraphenyl-2,5-dihydro-1H-germole
CID 173146259
3,9,9-triphenylfluorene
CID 140844354
3-(4-chlorophenyl)-1,1-dimethyl-2-phenylindene
CID 135024717
10-(10H-anthracen-9-ylidene)-9,9-bis(4-phenylphenyl)anthracene
CID 154436056

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,4-pentakis-phenyl-2H-naphthalene?
The IUPAC name of 1,1,2,3,4-pentakis-phenyl-2H-naphthalene (CID 102532402) is 1,1,2,3,4-pentakis-phenyl-2H-naphthalene.
What is the SMILES notation for 1,1,2,3,4-pentakis-phenyl-2H-naphthalene?
The canonical SMILES for 1,1,2,3,4-pentakis-phenyl-2H-naphthalene is c1ccc(C2=C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)(c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 1,1,2,3,4-pentakis-phenyl-2H-naphthalene?
The InChIKey is CJUIECILCRGQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30/c1-6-18-30(19-7-1)37-35-28-16-17-29-36(35)40(33-24-12-4-13-25-33,34-26-14-5-15-27-34)39(32-22-10-3-11-23-32)38(37)31-20-8-2-9-21-31/h1-29,39H.
What are the key properties of 1,1,2,3,4-pentakis-phenyl-2H-naphthalene?
1,1,2,3,4-pentakis-phenyl-2H-naphthalene has a molecular weight of 510.68 g/mol, XLogP of 9.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,4-pentakis-phenyl-2H-naphthalene is sourced from PubChem (CID 102532402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).