4,5-bis(4-fluorophenyl)-1-phenylbenzo[cd]indol-2-one

C29H17F2NO — CID 77461528

IUPAC4,5-bis(4-fluorophenyl)-1-phenylbenzo[cd]indol-2-one
SMILESO=C1c2cc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)c3cccc(c23)N1c1ccccc1
InChIInChI=1S/C29H17F2NO/c30-20-13-9-18(10-14-20)24-17-25-28-23(27(24)19-11-15-21(31)16-12-19)7-4-8-26(28)32(29(25)33)22-5-2-1-3-6-22/h1-17H
InChIKeyDICMSYHEUBHJJZ-UHFFFAOYSA-N
MW433.46 g/mol
LogP7.74
Rot. Bonds3

About 4,5-bis(4-fluorophenyl)-1-phenylbenzo[cd]indol-2-one

4,5-bis(4-fluorophenyl)-1-phenylbenzo[cd]indol-2-one (PubChem CID 77461528) has the molecular formula C29H17F2NO and a molecular weight of 433.46 g/mol. Its IUPAC name is 4,5-bis(4-fluorophenyl)-1-phenylbenzo[cd]indol-2-one.

Molecular Properties

Compound Name4,5-bis(4-fluorophenyl)-1-phenylbenzo[cd]indol-2-one
PubChem CID77461528
Molecular FormulaC29H17F2NO
Molecular Weight433.46 g/mol
Exact Mass433.13
IUPAC Name4,5-bis(4-fluorophenyl)-1-phenylbenzo[cd]indol-2-one
SMILESO=C1c2cc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)c3cccc(c23)N1c1ccccc1
InChIInChI=1S/C29H17F2NO/c30-20-13-9-18(10-14-20)24-17-25-28-23(27(24)19-11-15-21(31)16-12-19)7-4-8-26(28)32(29(25)33)22-5-2-1-3-6-22/h1-17H
InChIKeyDICMSYHEUBHJJZ-UHFFFAOYSA-N
XLogP7.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.46
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 79252
1-(5-(4-phenylpiperazin-1-yl)pentyl)benzo[cd]indol-2(1H)-one
CID 9843889
Benz[cd]indol-2(1H)-one, 1-methyl-
CID 121175
1-Ethylbenz[cd]indol-2(1H)-one
CID 74592
4-(4-fluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)naphthalen-2-yl]benzamide
CID 70696356
(2,3-Dihydro-indol-1-yl)-naphthalen-2-yl-methanone
CID 3101356
1-(4-Fluorobenzyl)benzo[cd]indol-2(1H)-one
CID 573349
1-(4-Biphenylyl)benz[cd]indol-2(1H)-one
CID 629397
6-Chrysen-6-ylbenzo[d][2]benzazepine-5,7-dione
CID 278721
17-(4-Fluorophenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 2829577
17-(3-Fluorophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 3981745
1-[6-(4-Phenylpiperazin-1-yl)hexyl]benzo[cd]indol-2-one
CID 11246968

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-fluorophenyl)-1-phenylbenzo[cd]indol-2-one?
The IUPAC name of 4,5-bis(4-fluorophenyl)-1-phenylbenzo[cd]indol-2-one (CID 77461528) is 4,5-bis(4-fluorophenyl)-1-phenylbenzo[cd]indol-2-one.
What is the SMILES notation for 4,5-bis(4-fluorophenyl)-1-phenylbenzo[cd]indol-2-one?
The canonical SMILES for 4,5-bis(4-fluorophenyl)-1-phenylbenzo[cd]indol-2-one is O=C1c2cc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)c3cccc(c23)N1c1ccccc1.
What is the InChIKey of 4,5-bis(4-fluorophenyl)-1-phenylbenzo[cd]indol-2-one?
The InChIKey is DICMSYHEUBHJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17F2NO/c30-20-13-9-18(10-14-20)24-17-25-28-23(27(24)19-11-15-21(31)16-12-19)7-4-8-26(28)32(29(25)33)22-5-2-1-3-6-22/h1-17H.
What are the key properties of 4,5-bis(4-fluorophenyl)-1-phenylbenzo[cd]indol-2-one?
4,5-bis(4-fluorophenyl)-1-phenylbenzo[cd]indol-2-one has a molecular weight of 433.46 g/mol, XLogP of 7.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-fluorophenyl)-1-phenylbenzo[cd]indol-2-one is sourced from PubChem (CID 77461528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).