[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'}

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Related Compounds

[4-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]phenyl]-phenylmethanone
CID 89024086
5-[10-(4-fluorophenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 88549809
5-[10-(4-tert-butylphenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 123566390
5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 91114293
7,7-dimethyl-5-(2-phenanthren-9-yl-10-phenylanthracen-9-yl)benzo[c]fluorene
CID 90769656
6,6,12,12-tetramethyl-5-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b]fluorene
CID 159679931
19-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 140724618
7,7-dimethyl-5-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 123260279
(3-methylphenyl)-[4-(10-phenylanthracen-9-yl)phenyl]methanone
CID 87107427
(7,7-dimethylbenzo[c]fluoren-5-yl) acetate
CID 67171677
7,7-dimethyl-2-(10-phenylanthracen-9-yl)benzo[c]fluorene
CID 158971637
7,7-dimethyl-5-[2-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 91082381

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).