[3-[10-[4-(3,10-diphenylanthracen-9-yl)-3-methylphenyl]anthracen-9-yl]phenyl]-phenylmethanone

C60H40O — CID 90996299

IUPAC[3-[10-[4-(3,10-diphenylanthracen-9-yl)-3-methylphenyl]anthracen-9-yl]phenyl]-phenylmethanone
SMILESCc1cc(-c2c3ccccc3c(-c3cccc(C(=O)c4ccccc4)c3)c3ccccc23)ccc1-c1c2ccccc2c(-c2ccccc2)c2cc(-c3ccccc3)ccc12
InChIInChI=1S/C60H40O/c1-39-36-45(58-50-28-13-11-26-48(50)57(49-27-12-14-29-51(49)58)44-24-17-25-46(37-44)60(61)42-22-9-4-10-23-42)33-34-47(39)59-53-31-16-15-30-52(53)56(41-20-7-3-8-21-41)55-38-43(32-35-54(55)59)40-18-5-2-6-19-40/h2-38H,1H3
InChIKeyDJPXAUOZIZUROW-UHFFFAOYSA-N
MW776.98 g/mol
LogP16.17
Rot. Bonds7

About [3-[10-[4-(3,10-diphenylanthracen-9-yl)-3-methylphenyl]anthracen-9-yl]phenyl]-phenylmethanone

[3-[10-[4-(3,10-diphenylanthracen-9-yl)-3-methylphenyl]anthracen-9-yl]phenyl]-phenylmethanone (PubChem CID 90996299) has the molecular formula C60H40O and a molecular weight of 776.98 g/mol. Its IUPAC name is [3-[10-[4-(3,10-diphenylanthracen-9-yl)-3-methylphenyl]anthracen-9-yl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-[10-[4-(3,10-diphenylanthracen-9-yl)-3-methylphenyl]anthracen-9-yl]phenyl]-phenylmethanone
PubChem CID90996299
Molecular FormulaC60H40O
Molecular Weight776.98 g/mol
Exact Mass776.31
IUPAC Name[3-[10-[4-(3,10-diphenylanthracen-9-yl)-3-methylphenyl]anthracen-9-yl]phenyl]-phenylmethanone
SMILESCc1cc(-c2c3ccccc3c(-c3cccc(C(=O)c4ccccc4)c3)c3ccccc23)ccc1-c1c2ccccc2c(-c2ccccc2)c2cc(-c3ccccc3)ccc12
InChIInChI=1S/C60H40O/c1-39-36-45(58-50-28-13-11-26-48(50)57(49-27-12-14-29-51(49)58)44-24-17-25-46(37-44)60(61)42-22-9-4-10-23-42)33-34-47(39)59-53-31-16-15-30-52(53)56(41-20-7-3-8-21-41)55-38-43(32-35-54(55)59)40-18-5-2-6-19-40/h2-38H,1H3
InChIKeyDJPXAUOZIZUROW-UHFFFAOYSA-N
XLogP16.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.98
LogP ≤ 516.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [3-[10-[4-(3,10-diphenylanthracen-9-yl)-3-methylphenyl]anthracen-9-yl]phenyl]-phenylmethanone 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

(3-methylphenyl)-[4-(10-phenylanthracen-9-yl)phenyl]methanone
CID 87107427
[4-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]phenyl]-phenylmethanone
CID 89024086
9-phenyl-10-[5-phenyl-8-[3-(4-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 144837443
2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]triphenylene;2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene;bis(2-(9,10-diphenylanthracen-2-yl)triphenylene)
CID 158141670
9,10-bis(3-methylphenyl)-2,6-diphenylanthracene
CID 142700277
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene
CID 59766405
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
2,6,9,10-tetraphenylanthracene
CID 58645118
2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene
CID 158302450
2-[2-methyl-4-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]triphenylene
CID 123442810
9-naphthalen-1-yl-2,6-diphenyl-10-(5-phenylnaphthalen-1-yl)anthracene;10-naphthalen-1-yl-2-phenyl-9-(5-phenylnaphthalen-1-yl)anthracene;2,7,10-triphenyl-9-(5-phenylnaphthalen-1-yl)anthracene
CID 163914119

Frequently Asked Questions

What is the IUPAC name of [3-[10-[4-(3,10-diphenylanthracen-9-yl)-3-methylphenyl]anthracen-9-yl]phenyl]-phenylmethanone?
The IUPAC name of [3-[10-[4-(3,10-diphenylanthracen-9-yl)-3-methylphenyl]anthracen-9-yl]phenyl]-phenylmethanone (CID 90996299) is [3-[10-[4-(3,10-diphenylanthracen-9-yl)-3-methylphenyl]anthracen-9-yl]phenyl]-phenylmethanone.
What is the SMILES notation for [3-[10-[4-(3,10-diphenylanthracen-9-yl)-3-methylphenyl]anthracen-9-yl]phenyl]-phenylmethanone?
The canonical SMILES for [3-[10-[4-(3,10-diphenylanthracen-9-yl)-3-methylphenyl]anthracen-9-yl]phenyl]-phenylmethanone is Cc1cc(-c2c3ccccc3c(-c3cccc(C(=O)c4ccccc4)c3)c3ccccc23)ccc1-c1c2ccccc2c(-c2ccccc2)c2cc(-c3ccccc3)ccc12.
What is the InChIKey of [3-[10-[4-(3,10-diphenylanthracen-9-yl)-3-methylphenyl]anthracen-9-yl]phenyl]-phenylmethanone?
The InChIKey is DJPXAUOZIZUROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40O/c1-39-36-45(58-50-28-13-11-26-48(50)57(49-27-12-14-29-51(49)58)44-24-17-25-46(37-44)60(61)42-22-9-4-10-23-42)33-34-47(39)59-53-31-16-15-30-52(53)56(41-20-7-3-8-21-41)55-38-43(32-35-54(55)59)40-18-5-2-6-19-40/h2-38H,1H3.
What are the key properties of [3-[10-[4-(3,10-diphenylanthracen-9-yl)-3-methylphenyl]anthracen-9-yl]phenyl]-phenylmethanone?
[3-[10-[4-(3,10-diphenylanthracen-9-yl)-3-methylphenyl]anthracen-9-yl]phenyl]-phenylmethanone has a molecular weight of 776.98 g/mol, XLogP of 16.17, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[10-[4-(3,10-diphenylanthracen-9-yl)-3-methylphenyl]anthracen-9-yl]phenyl]-phenylmethanone is sourced from PubChem (CID 90996299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).