5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene

C48H30 — CID 59638777

IUPAC5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene
SMILESc1ccc2c(-c3ccc(-c4ccc5c(ccc6cc(-c7cc8ccc9ccccc9c8c8ccccc78)ccc65)c4)cc3)cccc2c1
InChIInChI=1S/C48H30/c1-3-11-40-32(8-1)10-7-15-41(40)34-18-16-31(17-19-34)35-24-26-42-36(28-35)21-22-37-29-38(25-27-43(37)42)47-30-39-23-20-33-9-2-4-12-44(33)48(39)46-14-6-5-13-45(46)47/h1-30H
InChIKeyLOTPYWLIUJRJQG-UHFFFAOYSA-N
MW606.77 g/mol
LogP13.61
Rot. Bonds3

About 5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene

5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene (PubChem CID 59638777) has the molecular formula C48H30 and a molecular weight of 606.77 g/mol. Its IUPAC name is 5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene.

Molecular Properties

Compound Name5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene
PubChem CID59638777
Molecular FormulaC48H30
Molecular Weight606.77 g/mol
Exact Mass606.23
IUPAC Name5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene
SMILESc1ccc2c(-c3ccc(-c4ccc5c(ccc6cc(-c7cc8ccc9ccccc9c8c8ccccc78)ccc65)c4)cc3)cccc2c1
InChIInChI=1S/C48H30/c1-3-11-40-32(8-1)10-7-15-41(40)34-18-16-31(17-19-34)35-24-26-42-36(28-35)21-22-37-29-38(25-27-43(37)42)47-30-39-23-20-33-9-2-4-12-44(33)48(39)46-14-6-5-13-45(46)47/h1-30H
InChIKeyLOTPYWLIUJRJQG-UHFFFAOYSA-N
XLogP13.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.77
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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
bis(5-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene);5-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene;5-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene
CID 160704726
5-[7-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
CID 58544615
2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
CID 59638748
5-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)benzo[c]phenanthrene
CID 59390472
8-naphthalen-2-yl-3-phenylbenzo[c]phenanthrene
CID 123277337
5-[6-(3-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-2-yl]benzo[c]phenanthrene
CID 59524163
6-[4-(7-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene
CID 58544674
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
1-(3-naphthalen-1-ylphenyl)-5-(4-naphthalen-1-ylphenyl)naphthalene;1-(3-naphthalen-2-ylphenyl)-5-(4-naphthalen-1-ylphenyl)naphthalene;9-[4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[4-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[5-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[5-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenanthrene;9-[4-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenanthrene;2-[4-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]phenyl]triphenylene;1-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)naphthalene;1-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)naphthalene;2-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)naphthalene
CID 159867264
6-[4-(3-naphthalen-1-ylphenyl)phenyl]chrysene
CID 140792190

Frequently Asked Questions

What is the IUPAC name of 5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene?
The IUPAC name of 5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene (CID 59638777) is 5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene.
What is the SMILES notation for 5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene?
The canonical SMILES for 5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene is c1ccc2c(-c3ccc(-c4ccc5c(ccc6cc(-c7cc8ccc9ccccc9c8c8ccccc78)ccc65)c4)cc3)cccc2c1.
What is the InChIKey of 5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene?
The InChIKey is LOTPYWLIUJRJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30/c1-3-11-40-32(8-1)10-7-15-41(40)34-18-16-31(17-19-34)35-24-26-42-36(28-35)21-22-37-29-38(25-27-43(37)42)47-30-39-23-20-33-9-2-4-12-44(33)48(39)46-14-6-5-13-45(46)47/h1-30H.
What are the key properties of 5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene?
5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene has a molecular weight of 606.77 g/mol, XLogP of 13.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene is sourced from PubChem (CID 59638777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).