9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene

C46H30 — CID 58323135

IUPAC9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4cc(-c5ccccc5)ccc34)cc2)cc1
InChIInChI=1S/C46H30/c1-3-13-31(14-4-1)33-23-25-34(26-24-33)45-40-21-11-12-22-41(40)46(44-29-35(27-28-42(44)45)32-15-5-2-6-16-32)43-30-36-17-7-8-18-37(36)38-19-9-10-20-39(38)43/h1-30H
InChIKeyJYXXDPHBAGGZFY-UHFFFAOYSA-N
MW582.75 g/mol
LogP12.97
Rot. Bonds4

About 9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene

9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene (PubChem CID 58323135) has the molecular formula C46H30 and a molecular weight of 582.75 g/mol. Its IUPAC name is 9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene.

Molecular Properties

Compound Name9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene
PubChem CID58323135
Molecular FormulaC46H30
Molecular Weight582.75 g/mol
Exact Mass582.23
IUPAC Name9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4cc(-c5ccccc5)ccc34)cc2)cc1
InChIInChI=1S/C46H30/c1-3-13-31(14-4-1)33-23-25-34(26-24-33)45-40-21-11-12-22-41(40)46(44-29-35(27-28-42(44)45)32-15-5-2-6-16-32)43-30-36-17-7-8-18-37(36)38-19-9-10-20-39(38)43/h1-30H
InChIKeyJYXXDPHBAGGZFY-UHFFFAOYSA-N
XLogP12.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.75
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-10-(10-phenylanthracen-9-yl)phenanthrene
CID 123229235
9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58323001
10-phenanthren-9-yl-9-(3-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322788
2,9-bis(4-methylphenyl)-10-phenanthren-9-ylanthracene
CID 156622206
2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 59002225
9-phenanthren-9-yl-2-phenyl-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 59793185
10-phenanthren-9-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322811
9-phenanthren-9-yl-10-phenylanthracene
CID 59592440
9-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene;9-phenanthren-9-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9-phenyl-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 159797606
2-naphthalen-1-yl-9-(2-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;2-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;2-naphthalen-1-yl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene;2-naphthalen-1-yl-10-phenanthren-9-yl-9-(4-phenylphenyl)anthracene
CID 161364950
2-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran
CID 58323704
10-naphthalen-2-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322690

Frequently Asked Questions

What is the IUPAC name of 9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene?
The IUPAC name of 9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene (CID 58323135) is 9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene.
What is the SMILES notation for 9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene?
The canonical SMILES for 9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene is c1ccc(-c2ccc(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4cc(-c5ccccc5)ccc34)cc2)cc1.
What is the InChIKey of 9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene?
The InChIKey is JYXXDPHBAGGZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30/c1-3-13-31(14-4-1)33-23-25-34(26-24-33)45-40-21-11-12-22-41(40)46(44-29-35(27-28-42(44)45)32-15-5-2-6-16-32)43-30-36-17-7-8-18-37(36)38-19-9-10-20-39(38)43/h1-30H.
What are the key properties of 9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene?
9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene has a molecular weight of 582.75 g/mol, XLogP of 12.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene is sourced from PubChem (CID 58323135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).