9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene

C60H38 — CID 58323001

IUPAC9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene
SMILESc1ccc(-c2ccc3c(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccccc4c(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c3c2)cc1
InChIInChI=1S/C60H38/c1-2-14-39(15-3-1)44-34-35-55-58(36-44)60(43-32-28-41(29-33-43)57-38-46-17-5-7-19-48(46)50-21-9-11-23-52(50)57)54-25-13-12-24-53(54)59(55)42-30-26-40(27-31-42)56-37-45-16-4-6-18-47(45)49-20-8-10-22-51(49)56/h1-38H
InChIKeyFPQBAOJGNMRWMV-UHFFFAOYSA-N
MW758.96 g/mol
LogP16.94
Rot. Bonds5

About 9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene

9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene (PubChem CID 58323001) has the molecular formula C60H38 and a molecular weight of 758.96 g/mol. Its IUPAC name is 9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene.

Molecular Properties

Compound Name9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene
PubChem CID58323001
Molecular FormulaC60H38
Molecular Weight758.96 g/mol
Exact Mass758.30
IUPAC Name9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene
SMILESc1ccc(-c2ccc3c(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccccc4c(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c3c2)cc1
InChIInChI=1S/C60H38/c1-2-14-39(15-3-1)44-34-35-55-58(36-44)60(43-32-28-41(29-33-43)57-38-46-17-5-7-19-48(46)50-21-9-11-23-52(50)57)54-25-13-12-24-53(54)59(55)42-30-26-40(27-31-42)56-37-45-16-4-6-18-47(45)49-20-8-10-22-51(49)56/h1-38H
InChIKeyFPQBAOJGNMRWMV-UHFFFAOYSA-N
XLogP16.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.96
LogP ≤ 516.94
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-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 59002225
9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene
CID 58323135
2-phenyl-10-(10-phenylanthracen-9-yl)phenanthrene
CID 123229235
2-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]triphenylene
CID 59583053
10-phenanthren-9-yl-9-(3-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322788
9-phenanthren-9-yl-2-phenyl-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 59793185
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,10-diphenylphenanthrene;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10-phenylphenanthrene;3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-phenylphenanthrene;2-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-9,10-diphenylphenanthrene;2-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-9-phenylphenanthrene;2-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene;3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-9-phenylphenanthrene
CID 161199830
3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene
CID 58194539
2,9-bis(4-methylphenyl)-10-phenanthren-9-ylanthracene
CID 156622206
9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene
CID 59793080
9-(3,5-diphenylphenyl)-10-[7-(4-phenanthren-9-ylphenyl)naphthalen-2-yl]anthracene
CID 123644729
10-phenanthren-9-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322811

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene?
The IUPAC name of 9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene (CID 58323001) is 9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene.
What is the SMILES notation for 9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene?
The canonical SMILES for 9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene is c1ccc(-c2ccc3c(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccccc4c(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c3c2)cc1.
What is the InChIKey of 9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene?
The InChIKey is FPQBAOJGNMRWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38/c1-2-14-39(15-3-1)44-34-35-55-58(36-44)60(43-32-28-41(29-33-43)57-38-46-17-5-7-19-48(46)50-21-9-11-23-52(50)57)54-25-13-12-24-53(54)59(55)42-30-26-40(27-31-42)56-37-45-16-4-6-18-47(45)49-20-8-10-22-51(49)56/h1-38H.
What are the key properties of 9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene?
9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene has a molecular weight of 758.96 g/mol, XLogP of 16.94, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene is sourced from PubChem (CID 58323001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).