[4-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]phenyl]-phenylmethanone

C46H32O — CID 88549557

IUPAC[4-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]phenyl]-phenylmethanone
SMILESCC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3ccc(C(=O)c4ccccc4)cc3)c3ccccc13)c1ccccc21
InChIInChI=1S/C46H32O/c1-46(2)40-23-13-12-22-38(40)44-33-17-7-6-16-32(33)39(28-41(44)46)43-36-20-10-8-18-34(36)42(35-19-9-11-21-37(35)43)29-24-26-31(27-25-29)45(47)30-14-4-3-5-15-30/h3-28H,1-2H3
InChIKeyNONOGKPRHBLWHS-UHFFFAOYSA-N
MW600.76 g/mol
LogP12.02
Rot. Bonds4

About [4-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]phenyl]-phenylmethanone

[4-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]phenyl]-phenylmethanone (PubChem CID 88549557) has the molecular formula C46H32O and a molecular weight of 600.76 g/mol. Its IUPAC name is [4-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]phenyl]-phenylmethanone
PubChem CID88549557
Molecular FormulaC46H32O
Molecular Weight600.76 g/mol
Exact Mass600.25
IUPAC Name[4-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]phenyl]-phenylmethanone
SMILESCC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3ccc(C(=O)c4ccccc4)cc3)c3ccccc13)c1ccccc21
InChIInChI=1S/C46H32O/c1-46(2)40-23-13-12-22-38(40)44-33-17-7-6-16-32(33)39(28-41(44)46)43-36-20-10-8-18-34(36)42(35-19-9-11-21-37(35)43)29-24-26-31(27-25-29)45(47)30-14-4-3-5-15-30/h3-28H,1-2H3
InChIKeyNONOGKPRHBLWHS-UHFFFAOYSA-N
XLogP12.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.76
LogP ≤ 512.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [4-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)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

Frequently Asked Questions

What is the IUPAC name of [4-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]phenyl]-phenylmethanone?
The IUPAC name of [4-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]phenyl]-phenylmethanone (CID 88549557) is [4-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]phenyl]-phenylmethanone is CC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3ccc(C(=O)c4ccccc4)cc3)c3ccccc13)c1ccccc21.
What is the InChIKey of [4-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]phenyl]-phenylmethanone?
The InChIKey is NONOGKPRHBLWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32O/c1-46(2)40-23-13-12-22-38(40)44-33-17-7-6-16-32(33)39(28-41(44)46)43-36-20-10-8-18-34(36)42(35-19-9-11-21-37(35)43)29-24-26-31(27-25-29)45(47)30-14-4-3-5-15-30/h3-28H,1-2H3.
What are the key properties of [4-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]phenyl]-phenylmethanone?
[4-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]phenyl]-phenylmethanone has a molecular weight of 600.76 g/mol, XLogP of 12.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]phenyl]-phenylmethanone is sourced from PubChem (CID 88549557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).