9-(3-anthracen-2-ylphenyl)-10-(4-phenylphenyl)anthracene

C46H30 — CID 164706350

IUPAC9-(3-anthracen-2-ylphenyl)-10-(4-phenylphenyl)anthracene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc6cc7ccccc7cc6c5)c4)c4ccccc34)cc2)cc1
InChIInChI=1S/C46H30/c1-2-11-31(12-3-1)32-21-23-33(24-22-32)45-41-17-6-8-19-43(41)46(44-20-9-7-18-42(44)45)39-16-10-15-36(28-39)37-25-26-38-27-34-13-4-5-14-35(34)29-40(38)30-37/h1-30H
InChIKeyYKHHZTJYEVGBFC-UHFFFAOYSA-N
MW582.75 g/mol
LogP12.97
Rot. Bonds4

About 9-(3-anthracen-2-ylphenyl)-10-(4-phenylphenyl)anthracene

9-(3-anthracen-2-ylphenyl)-10-(4-phenylphenyl)anthracene (PubChem CID 164706350) has the molecular formula C46H30 and a molecular weight of 582.75 g/mol. Its IUPAC name is 9-(3-anthracen-2-ylphenyl)-10-(4-phenylphenyl)anthracene.

Molecular Properties

Compound Name9-(3-anthracen-2-ylphenyl)-10-(4-phenylphenyl)anthracene
PubChem CID164706350
Molecular FormulaC46H30
Molecular Weight582.75 g/mol
Exact Mass582.23
IUPAC Name9-(3-anthracen-2-ylphenyl)-10-(4-phenylphenyl)anthracene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc6cc7ccccc7cc6c5)c4)c4ccccc34)cc2)cc1
InChIInChI=1S/C46H30/c1-2-11-31(12-3-1)32-21-23-33(24-22-32)45-41-17-6-8-19-43(41)46(44-20-9-7-18-42(44)45)39-16-10-15-36(28-39)37-25-26-38-27-34-13-4-5-14-35(34)29-40(38)30-37/h1-30H
InChIKeyYKHHZTJYEVGBFC-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'}

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Related Compounds

9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene
CID 59798540
9-(3,5-diphenylphenyl)-10-phenylanthracene;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenylanthracene;9-phenyl-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 161401825
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438367
9-[6-(3-naphthalen-2-yl-5-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 58590127
9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
CID 58965758
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427
9-phenyl-10-[7-phenyl-6-(3-phenylphenyl)naphthalen-2-yl]anthracene
CID 58590145

Frequently Asked Questions

What is the IUPAC name of 9-(3-anthracen-2-ylphenyl)-10-(4-phenylphenyl)anthracene?
The IUPAC name of 9-(3-anthracen-2-ylphenyl)-10-(4-phenylphenyl)anthracene (CID 164706350) is 9-(3-anthracen-2-ylphenyl)-10-(4-phenylphenyl)anthracene.
What is the SMILES notation for 9-(3-anthracen-2-ylphenyl)-10-(4-phenylphenyl)anthracene?
The canonical SMILES for 9-(3-anthracen-2-ylphenyl)-10-(4-phenylphenyl)anthracene is c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc6cc7ccccc7cc6c5)c4)c4ccccc34)cc2)cc1.
What is the InChIKey of 9-(3-anthracen-2-ylphenyl)-10-(4-phenylphenyl)anthracene?
The InChIKey is YKHHZTJYEVGBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30/c1-2-11-31(12-3-1)32-21-23-33(24-22-32)45-41-17-6-8-19-43(41)46(44-20-9-7-18-42(44)45)39-16-10-15-36(28-39)37-25-26-38-27-34-13-4-5-14-35(34)29-40(38)30-37/h1-30H.
What are the key properties of 9-(3-anthracen-2-ylphenyl)-10-(4-phenylphenyl)anthracene?
9-(3-anthracen-2-ylphenyl)-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-(3-anthracen-2-ylphenyl)-10-(4-phenylphenyl)anthracene is sourced from PubChem (CID 164706350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).