8-naphthalen-2-yl-3-phenylbenzo[c]phenanthrene

C34H22 — CID 123277337

IUPAC8-naphthalen-2-yl-3-phenylbenzo[c]phenanthrene
SMILESc1ccc(-c2ccc3c(ccc4cc(-c5ccc6ccccc6c5)c5ccccc5c43)c2)cc1
InChIInChI=1S/C34H22/c1-2-8-23(9-3-1)26-18-19-30-27(21-26)16-17-29-22-33(31-12-6-7-13-32(31)34(29)30)28-15-14-24-10-4-5-11-25(24)20-28/h1-22H
InChIKeyMTTOLLZKHXPECW-UHFFFAOYSA-N
MW430.55 g/mol
LogP9.63
Rot. Bonds2

About 8-naphthalen-2-yl-3-phenylbenzo[c]phenanthrene

8-naphthalen-2-yl-3-phenylbenzo[c]phenanthrene (PubChem CID 123277337) has the molecular formula C34H22 and a molecular weight of 430.55 g/mol. Its IUPAC name is 8-naphthalen-2-yl-3-phenylbenzo[c]phenanthrene.

Molecular Properties

Compound Name8-naphthalen-2-yl-3-phenylbenzo[c]phenanthrene
PubChem CID123277337
Molecular FormulaC34H22
Molecular Weight430.55 g/mol
Exact Mass430.17
IUPAC Name8-naphthalen-2-yl-3-phenylbenzo[c]phenanthrene
SMILESc1ccc(-c2ccc3c(ccc4cc(-c5ccc6ccccc6c5)c5ccccc5c43)c2)cc1
InChIInChI=1S/C34H22/c1-2-8-23(9-3-1)26-18-19-30-27(21-26)16-17-29-22-33(31-12-6-7-13-32(31)34(29)30)28-15-14-24-10-4-5-11-25(24)20-28/h1-22H
InChIKeyMTTOLLZKHXPECW-UHFFFAOYSA-N
XLogP9.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 8-naphthalen-2-yl-3-phenylbenzo[c]phenanthrene 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

5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
CID 58037147
5-(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)benzo[c]phenanthrene
CID 123689290
9,13-bis(4-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(4-naphthalen-2-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(6-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-diphenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 159768381
5-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]benzo[c]phenanthrene
CID 59622740
5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene
CID 59638777
5-[3-(3-benzo[c]phenanthren-6-ylphenyl)phenyl]benzo[c]phenanthrene;5-[3-(4-naphthalen-2-ylphenyl)phenyl]benzo[c]phenanthrene;21-[3-[3-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]phenyl]pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;21-[4-(4-phenanthren-9-ylnaphthalen-1-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;5-[6-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
CID 162264958
4-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)phenanthrene
CID 59638749
9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene
CID 158676895
7-naphthalen-2-yl-2-phenanthren-9-yl-9-phenylphenanthrene
CID 59390470
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]triphenylene;2-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]triphenylene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene;2-[4-(4-triphenylen-2-ylphenyl)phenyl]triphenylene
CID 159620221
2,7-bis(3-phenylphenyl)benzo[c]phenanthrene
CID 140710635
3-(4-benzo[c]phenanthren-5-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167183914

Frequently Asked Questions

What is the IUPAC name of 8-naphthalen-2-yl-3-phenylbenzo[c]phenanthrene?
The IUPAC name of 8-naphthalen-2-yl-3-phenylbenzo[c]phenanthrene (CID 123277337) is 8-naphthalen-2-yl-3-phenylbenzo[c]phenanthrene.
What is the SMILES notation for 8-naphthalen-2-yl-3-phenylbenzo[c]phenanthrene?
The canonical SMILES for 8-naphthalen-2-yl-3-phenylbenzo[c]phenanthrene is c1ccc(-c2ccc3c(ccc4cc(-c5ccc6ccccc6c5)c5ccccc5c43)c2)cc1.
What is the InChIKey of 8-naphthalen-2-yl-3-phenylbenzo[c]phenanthrene?
The InChIKey is MTTOLLZKHXPECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22/c1-2-8-23(9-3-1)26-18-19-30-27(21-26)16-17-29-22-33(31-12-6-7-13-32(31)34(29)30)28-15-14-24-10-4-5-11-25(24)20-28/h1-22H.
What are the key properties of 8-naphthalen-2-yl-3-phenylbenzo[c]phenanthrene?
8-naphthalen-2-yl-3-phenylbenzo[c]phenanthrene has a molecular weight of 430.55 g/mol, XLogP of 9.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-naphthalen-2-yl-3-phenylbenzo[c]phenanthrene is sourced from PubChem (CID 123277337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).