benzo[b]fluorene-11-thione;benzo[c]fluoren-7-one

C34H20OS — CID 159467800

IUPACbenzo[b]fluorene-11-thione;benzo[c]fluoren-7-one
SMILESO=C1c2ccccc2-c2c1ccc1ccccc21.S=C1c2ccccc2-c2cc3ccccc3cc21
InChIInChI=1S/C17H10O.C17H10S/c18-17-14-8-4-3-7-13(14)16-12-6-2-1-5-11(12)9-10-15(16)17;18-17-14-8-4-3-7-13(14)15-9-11-5-1-2-6-12(11)10-16(15)17/h2*1-10H
InChIKeyLVKITSQCJUHTDP-UHFFFAOYSA-N
MW476.60 g/mol
LogP8.64
Rot. Bonds

About benzo[b]fluorene-11-thione;benzo[c]fluoren-7-one

benzo[b]fluorene-11-thione;benzo[c]fluoren-7-one (PubChem CID 159467800) has the molecular formula C34H20OS and a molecular weight of 476.60 g/mol. Its IUPAC name is benzo[b]fluorene-11-thione;benzo[c]fluoren-7-one.

Molecular Properties

Compound Namebenzo[b]fluorene-11-thione;benzo[c]fluoren-7-one
PubChem CID159467800
Molecular FormulaC34H20OS
Molecular Weight476.60 g/mol
Exact Mass476.12
IUPAC Namebenzo[b]fluorene-11-thione;benzo[c]fluoren-7-one
SMILESO=C1c2ccccc2-c2c1ccc1ccccc21.S=C1c2ccccc2-c2cc3ccccc3cc21
InChIInChI=1S/C17H10O.C17H10S/c18-17-14-8-4-3-7-13(14)16-12-6-2-1-5-11(12)9-10-15(16)17;18-17-14-8-4-3-7-13(14)15-9-11-5-1-2-6-12(11)10-16(15)17/h2*1-10H
InChIKeyLVKITSQCJUHTDP-UHFFFAOYSA-N
XLogP8.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.60
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze benzo[b]fluorene-11-thione;benzo[c]fluoren-7-one 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

benzo[c]fluoren-7-one
CID 22413
17-methoxypentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-one
CID 11243834
benzo[a]tetracene-8,13-dione
CID 628034
29-azaheptacyclo[15.12.0.02,14.03,11.04,9.019,28.020,25]nonacosa-1(29),2(14),3(11),4,6,8,12,15,17,19(28),20,22,24,26-tetradecaen-10-one
CID 71813594
octacyclo[22.12.0.02,7.08,17.010,15.018,23.025,30.031,36]hexatriaconta-1(24),2,4,6,8,10,12,14,16,18,20,22,25,27,29,31,33,35-octadecaene
CID 162413036
3-methyl-10-sulfanylideneanthracen-9-one
CID 139845298
5-phenylbenzo[b]fluoren-11-one
CID 10494864
heptacyclo[15.12.0.02,15.03,12.04,9.020,29.023,28]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18,20(29),21,23,25,27-tetradecaen-16-one
CID 102495054
5-methoxybenzo[b]fluoren-11-one
CID 10753817
5-hydroxybenzo[b]fluoren-11-one
CID 177478830
2-phenanthren-1-ylfluoren-9-one
CID 90732038
undecacyclo[30.16.0.02,7.08,25.09,22.012,21.013,18.026,31.033,46.036,45.037,42]octatetraconta-1(32),2,4,6,8(25),9(22),10,12(21),13,15,17,19,23,26,28,30,33(46),34,36(45),37,39,41,43,47-tetracosaene
CID 140861554

Frequently Asked Questions

What is the IUPAC name of benzo[b]fluorene-11-thione;benzo[c]fluoren-7-one?
The IUPAC name of benzo[b]fluorene-11-thione;benzo[c]fluoren-7-one (CID 159467800) is benzo[b]fluorene-11-thione;benzo[c]fluoren-7-one.
What is the SMILES notation for benzo[b]fluorene-11-thione;benzo[c]fluoren-7-one?
The canonical SMILES for benzo[b]fluorene-11-thione;benzo[c]fluoren-7-one is O=C1c2ccccc2-c2c1ccc1ccccc21.S=C1c2ccccc2-c2cc3ccccc3cc21.
What is the InChIKey of benzo[b]fluorene-11-thione;benzo[c]fluoren-7-one?
The InChIKey is LVKITSQCJUHTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O.C17H10S/c18-17-14-8-4-3-7-13(14)16-12-6-2-1-5-11(12)9-10-15(16)17;18-17-14-8-4-3-7-13(14)15-9-11-5-1-2-6-12(11)10-16(15)17/h2*1-10H.
What are the key properties of benzo[b]fluorene-11-thione;benzo[c]fluoren-7-one?
benzo[b]fluorene-11-thione;benzo[c]fluoren-7-one has a molecular weight of 476.60 g/mol, XLogP of 8.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[b]fluorene-11-thione;benzo[c]fluoren-7-one is sourced from PubChem (CID 159467800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).