4-(9H-fluoren-2-yl)-2,8-diphenyldibenzothiophene

C37H24S — CID 160811980

IUPAC4-(9H-fluoren-2-yl)-2,8-diphenyldibenzothiophene
SMILESc1ccc(-c2ccc3sc4c(-c5ccc6c(c5)Cc5ccccc5-6)cc(-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C37H24S/c1-3-9-24(10-4-1)26-16-18-36-34(21-26)35-23-29(25-11-5-2-6-12-25)22-33(37(35)38-36)28-15-17-32-30(20-28)19-27-13-7-8-14-31(27)32/h1-18,20-23H,19H2
InChIKeyIBMCVAXBIAONQG-UHFFFAOYSA-N
MW500.67 g/mol
LogP10.63
Rot. Bonds3

About 4-(9H-fluoren-2-yl)-2,8-diphenyldibenzothiophene

4-(9H-fluoren-2-yl)-2,8-diphenyldibenzothiophene (PubChem CID 160811980) has the molecular formula C37H24S and a molecular weight of 500.67 g/mol. Its IUPAC name is 4-(9H-fluoren-2-yl)-2,8-diphenyldibenzothiophene.

Molecular Properties

Compound Name4-(9H-fluoren-2-yl)-2,8-diphenyldibenzothiophene
PubChem CID160811980
Molecular FormulaC37H24S
Molecular Weight500.67 g/mol
Exact Mass500.16
IUPAC Name4-(9H-fluoren-2-yl)-2,8-diphenyldibenzothiophene
SMILESc1ccc(-c2ccc3sc4c(-c5ccc6c(c5)Cc5ccccc5-6)cc(-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C37H24S/c1-3-9-24(10-4-1)26-16-18-36-34(21-26)35-23-29(25-11-5-2-6-12-25)22-33(37(35)38-36)28-15-17-32-30(20-28)19-27-13-7-8-14-31(27)32/h1-18,20-23H,19H2
InChIKeyIBMCVAXBIAONQG-UHFFFAOYSA-N
XLogP10.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.67
LogP ≤ 510.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-phenyl-2,8-bis(3-phenylphenyl)dibenzothiophene
CID 141356979
3,6-bis(2,8-diphenyldibenzothiophen-4-yl)-9H-carbazole
CID 66799481
4-(9H-fluoren-3-yl)-6-(3-phenylphenyl)dibenzothiophene
CID 157122578
4-(9H-fluoren-3-yl)-6-(4-phenylphenyl)dibenzothiophene
CID 157122579
2-[4-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 70332064
4-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349921
6,11-bis[3-(2,8-diphenyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 89417069
2-[4-[2,8-bis(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 70332069
6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349922
4,6-bis[3-[2,8-bis(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrimidine;4,6-bis[3-(6-phenyldibenzothiophen-4-yl)phenyl]pyrimidine;4,6-bis[3-(2,6,8-triphenyldibenzothiophen-4-yl)phenyl]pyrimidine
CID 158243456
2-[4-(2,8-diphenyldibenzothiophen-4-yl)phenyl]-1,3-benzoxazole
CID 67608627
2-[4-[[4-(9H-fluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9H-fluorene
CID 164833806

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-2-yl)-2,8-diphenyldibenzothiophene?
The IUPAC name of 4-(9H-fluoren-2-yl)-2,8-diphenyldibenzothiophene (CID 160811980) is 4-(9H-fluoren-2-yl)-2,8-diphenyldibenzothiophene.
What is the SMILES notation for 4-(9H-fluoren-2-yl)-2,8-diphenyldibenzothiophene?
The canonical SMILES for 4-(9H-fluoren-2-yl)-2,8-diphenyldibenzothiophene is c1ccc(-c2ccc3sc4c(-c5ccc6c(c5)Cc5ccccc5-6)cc(-c5ccccc5)cc4c3c2)cc1.
What is the InChIKey of 4-(9H-fluoren-2-yl)-2,8-diphenyldibenzothiophene?
The InChIKey is IBMCVAXBIAONQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24S/c1-3-9-24(10-4-1)26-16-18-36-34(21-26)35-23-29(25-11-5-2-6-12-25)22-33(37(35)38-36)28-15-17-32-30(20-28)19-27-13-7-8-14-31(27)32/h1-18,20-23H,19H2.
What are the key properties of 4-(9H-fluoren-2-yl)-2,8-diphenyldibenzothiophene?
4-(9H-fluoren-2-yl)-2,8-diphenyldibenzothiophene has a molecular weight of 500.67 g/mol, XLogP of 10.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-2-yl)-2,8-diphenyldibenzothiophene is sourced from PubChem (CID 160811980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).