[4-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]phenyl]-phenylmethanone

C52H36O — CID 89024086

IUPAC[4-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]phenyl]-phenylmethanone
SMILESCC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3ccccc3)c3ccc(-c4ccc(C(=O)c5ccccc5)cc4)cc13)c1ccccc21
InChIInChI=1S/C52H36O/c1-52(2)46-24-14-13-23-43(46)50-39-20-10-9-19-38(39)45(32-47(50)52)49-41-22-12-11-21-40(41)48(34-15-5-3-6-16-34)42-30-29-37(31-44(42)49)33-25-27-36(28-26-33)51(53)35-17-7-4-8-18-35/h3-32H,1-2H3
InChIKeyKWUJZVZCMVBYSB-UHFFFAOYSA-N
MW676.86 g/mol
LogP13.68
Rot. Bonds5

About [4-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]phenyl]-phenylmethanone

[4-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]phenyl]-phenylmethanone (PubChem CID 89024086) has the molecular formula C52H36O and a molecular weight of 676.86 g/mol. Its IUPAC name is [4-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]phenyl]-phenylmethanone
PubChem CID89024086
Molecular FormulaC52H36O
Molecular Weight676.86 g/mol
Exact Mass676.28
IUPAC Name[4-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]phenyl]-phenylmethanone
SMILESCC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3ccccc3)c3ccc(-c4ccc(C(=O)c5ccccc5)cc4)cc13)c1ccccc21
InChIInChI=1S/C52H36O/c1-52(2)46-24-14-13-23-43(46)50-39-20-10-9-19-38(39)45(32-47(50)52)49-41-22-12-11-21-40(41)48(34-15-5-3-6-16-34)42-30-29-37(31-44(42)49)33-25-27-36(28-26-33)51(53)35-17-7-4-8-18-35/h3-32H,1-2H3
InChIKeyKWUJZVZCMVBYSB-UHFFFAOYSA-N
XLogP13.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.86
LogP ≤ 513.68
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-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]phenyl]-phenylmethanone
CID 88549557
7,7-dimethyl-5-[2-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 91082381
7,7-dimethyl-5-(2-phenanthren-9-yl-10-phenylanthracen-9-yl)benzo[c]fluorene
CID 90769656
9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene
CID 59195155
2-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]-9,9-dimethyl-10-phenylacridine
CID 89024085
21,21-dimethyl-5-[4-(10-phenylanthracen-9-yl)phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17,19-decaene
CID 157131299
5-[10-(4-fluorophenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 88549809
2,10-diphenyl-9-(3,9,9-trimethyl-4-prop-1-enylfluoren-2-yl)anthracene
CID 91536828
6,6,12,12-tetramethyl-5-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b]fluorene
CID 159679931
5-[10-(4-tert-butylphenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 123566390
2-[4-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]phenyl]-4,5-dihydro-1,3-benzoxazole
CID 89024209
5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 91114293

Frequently Asked Questions

What is the IUPAC name of [4-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]phenyl]-phenylmethanone?
The IUPAC name of [4-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]phenyl]-phenylmethanone (CID 89024086) is [4-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]phenyl]-phenylmethanone is CC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3ccccc3)c3ccc(-c4ccc(C(=O)c5ccccc5)cc4)cc13)c1ccccc21.
What is the InChIKey of [4-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]phenyl]-phenylmethanone?
The InChIKey is KWUJZVZCMVBYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36O/c1-52(2)46-24-14-13-23-43(46)50-39-20-10-9-19-38(39)45(32-47(50)52)49-41-22-12-11-21-40(41)48(34-15-5-3-6-16-34)42-30-29-37(31-44(42)49)33-25-27-36(28-26-33)51(53)35-17-7-4-8-18-35/h3-32H,1-2H3.
What are the key properties of [4-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]phenyl]-phenylmethanone?
[4-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]phenyl]-phenylmethanone has a molecular weight of 676.86 g/mol, XLogP of 13.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]phenyl]-phenylmethanone is sourced from PubChem (CID 89024086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).