1-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)dibenzothiophene

C40H24S — CID 59282129

IUPAC1-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)dibenzothiophene
SMILESc1ccc2cc(-c3cc4cc(-c5cccc6sc7ccccc7c56)c5ccccc5c4c4ccccc34)ccc2c1
InChIInChI=1S/C40H24S/c1-2-11-26-22-27(21-20-25(26)10-1)35-23-28-24-36(33-17-9-19-38-40(33)34-16-7-8-18-37(34)41-38)30-13-4-6-15-32(30)39(28)31-14-5-3-12-29(31)35/h1-24H
InChIKeyRKLBJMZIFZHTPN-UHFFFAOYSA-N
MW536.70 g/mol
LogP12.00
Rot. Bonds2

About 1-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)dibenzothiophene

1-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)dibenzothiophene (PubChem CID 59282129) has the molecular formula C40H24S and a molecular weight of 536.70 g/mol. Its IUPAC name is 1-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)dibenzothiophene.

Molecular Properties

Compound Name1-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)dibenzothiophene
PubChem CID59282129
Molecular FormulaC40H24S
Molecular Weight536.70 g/mol
Exact Mass536.16
IUPAC Name1-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)dibenzothiophene
SMILESc1ccc2cc(-c3cc4cc(-c5cccc6sc7ccccc7c56)c5ccccc5c4c4ccccc34)ccc2c1
InChIInChI=1S/C40H24S/c1-2-11-26-22-27(21-20-25(26)10-1)35-23-28-24-36(33-17-9-19-38-40(33)34-16-7-8-18-37(34)41-38)30-13-4-6-15-32(30)39(28)31-14-5-3-12-29(31)35/h1-24H
InChIKeyRKLBJMZIFZHTPN-UHFFFAOYSA-N
XLogP12.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.70
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)dibenzothiophene 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

1-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]dibenzothiophene
CID 171449181
17-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 130186398
2-(8-dibenzothiophen-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 146367339
N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine
CID 177113902
N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine
CID 169073524
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 177119775
2-(3-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139304442
7-deuterio-1-[3-[10-[4-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]phenyl]dibenzothiophene
CID 171449153
5-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)benzo[c]phenanthrene
CID 59390472
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 163818280
3-dibenzothiophen-1-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118449069
9-dibenzothiophen-1-yl-14-(2-naphthalen-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167157227

Frequently Asked Questions

What is the IUPAC name of 1-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)dibenzothiophene?
The IUPAC name of 1-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)dibenzothiophene (CID 59282129) is 1-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)dibenzothiophene.
What is the SMILES notation for 1-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)dibenzothiophene?
The canonical SMILES for 1-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)dibenzothiophene is c1ccc2cc(-c3cc4cc(-c5cccc6sc7ccccc7c56)c5ccccc5c4c4ccccc34)ccc2c1.
What is the InChIKey of 1-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)dibenzothiophene?
The InChIKey is RKLBJMZIFZHTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24S/c1-2-11-26-22-27(21-20-25(26)10-1)35-23-28-24-36(33-17-9-19-38-40(33)34-16-7-8-18-37(34)41-38)30-13-4-6-15-32(30)39(28)31-14-5-3-12-29(31)35/h1-24H.
What are the key properties of 1-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)dibenzothiophene?
1-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)dibenzothiophene has a molecular weight of 536.70 g/mol, XLogP of 12.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)dibenzothiophene is sourced from PubChem (CID 59282129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).