CID 86241062

C42H24S — CID 86241062

IUPAC—
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1sc1c2-c2ccccc2C12c1ccccc1-c1ccccc12
InChIInChI=1S/C42H24S/c1-7-19-31-25(13-1)26-14-2-8-20-32(26)41(31)35-23-11-5-17-29(35)37-38-30-18-6-12-24-36(30)42(40(38)43-39(37)41)33-21-9-3-15-27(33)28-16-4-10-22-34(28)42/h1-24H
InChIKeyFXJGGQFZOIUFPS-UHFFFAOYSA-N
MW560.72 g/mol
LogP10.44
Rot. Bonds

About CID 86241062

CID 86241062 (PubChem CID 86241062) has the molecular formula C42H24S and a molecular weight of 560.72 g/mol.

Molecular Properties

Compound NameCID 86241062
PubChem CID86241062
Molecular FormulaC42H24S
Molecular Weight560.72 g/mol
Exact Mass560.16
IUPAC Name—
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1sc1c2-c2ccccc2C12c1ccccc1-c1ccccc12
InChIInChI=1S/C42H24S/c1-7-19-31-25(13-1)26-14-2-8-20-32(26)41(31)35-23-11-5-17-29(35)37-38-30-18-6-12-24-36(30)42(40(38)43-39(37)41)33-21-9-3-15-27(33)28-16-4-10-22-34(28)42/h1-24H
InChIKeyFXJGGQFZOIUFPS-UHFFFAOYSA-N
XLogP10.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.72
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]
CID 134529610
1-N,1-N,4-N-triphenyl-4-N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylbenzene-1,4-diamine
CID 134551493
2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 101469787
(3'-methylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)astatine
CID 156721119
CID 102532137
CID 102532137
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
2-N-phenyl-2-N,8-N',8-N'-tris(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 134529798
(9S)-2-N-(9,9-diphenylfluoren-2-yl)-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 134533543
4-bromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 121391692
CID 140845137
CID 140845137
9,9,18,18,27,27-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 59217347
spiro[benzo[b]fluorene-11,9'-fluorene]
CID 140775185

Frequently Asked Questions

What is the IUPAC name of CID 86241062?
The IUPAC name of CID 86241062 (CID 86241062) is not available.
What is the SMILES notation for CID 86241062?
The canonical SMILES for CID 86241062 is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1sc1c2-c2ccccc2C12c1ccccc1-c1ccccc12.
What is the InChIKey of CID 86241062?
The InChIKey is FXJGGQFZOIUFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24S/c1-7-19-31-25(13-1)26-14-2-8-20-32(26)41(31)35-23-11-5-17-29(35)37-38-30-18-6-12-24-36(30)42(40(38)43-39(37)41)33-21-9-3-15-27(33)28-16-4-10-22-34(28)42/h1-24H.
What are the key properties of CID 86241062?
CID 86241062 has a molecular weight of 560.72 g/mol, XLogP of 10.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 86241062 is sourced from PubChem (CID 86241062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).