4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-3,4-dihydrodibenzothiophene

C43H30S — CID 67121719

IUPAC4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-3,4-dihydrodibenzothiophene
SMILESC1=Cc2c(sc3c(-c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)cccc23)C(c2ccccc2)C1
InChIInChI=1S/C43H30S/c1-3-13-29(14-4-1)33-19-11-21-37-38-22-12-20-34(42(38)44-41(33)37)30-25-27-32(28-26-30)43(31-15-5-2-6-16-31)39-23-9-7-17-35(39)36-18-8-10-24-40(36)43/h1-18,20-28,33H,19H2
InChIKeyQBEAKEWMSXKRFN-UHFFFAOYSA-N
MW578.78 g/mol
LogP11.48
Rot. Bonds4

About 4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-3,4-dihydrodibenzothiophene

4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-3,4-dihydrodibenzothiophene (PubChem CID 67121719) has the molecular formula C43H30S and a molecular weight of 578.78 g/mol. Its IUPAC name is 4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-3,4-dihydrodibenzothiophene.

Molecular Properties

Compound Name4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-3,4-dihydrodibenzothiophene
PubChem CID67121719
Molecular FormulaC43H30S
Molecular Weight578.78 g/mol
Exact Mass578.21
IUPAC Name4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-3,4-dihydrodibenzothiophene
SMILESC1=Cc2c(sc3c(-c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)cccc23)C(c2ccccc2)C1
InChIInChI=1S/C43H30S/c1-3-13-29(14-4-1)33-19-11-21-37-38-22-12-20-34(42(38)44-41(33)37)30-25-27-32(28-26-30)43(31-15-5-2-6-16-31)39-23-9-7-17-35(39)36-18-8-10-24-40(36)43/h1-18,20-28,33H,19H2
InChIKeyQBEAKEWMSXKRFN-UHFFFAOYSA-N
XLogP11.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.78
LogP ≤ 511.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]phenyl]dibenzothiophene
CID 66686478
4-[7-(3,4-dihydrodibenzothiophen-4-yl)spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene]-2-yl]dibenzothiophene
CID 88558324
4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene
CID 66656896
2-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 145377395
4-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115866
4-dibenzothiophen-4-yl-N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 144995074
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381453
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(2-phenylphenyl)aniline
CID 121381502
N,6-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]dibenzothiophen-4-amine
CID 138670243
4-[4-[4-bromo-9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]dibenzothiophene
CID 154955071
N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121381231
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)-3-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)aniline
CID 121391749

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-3,4-dihydrodibenzothiophene?
The IUPAC name of 4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-3,4-dihydrodibenzothiophene (CID 67121719) is 4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-3,4-dihydrodibenzothiophene.
What is the SMILES notation for 4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-3,4-dihydrodibenzothiophene?
The canonical SMILES for 4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-3,4-dihydrodibenzothiophene is C1=Cc2c(sc3c(-c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)cccc23)C(c2ccccc2)C1.
What is the InChIKey of 4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-3,4-dihydrodibenzothiophene?
The InChIKey is QBEAKEWMSXKRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30S/c1-3-13-29(14-4-1)33-19-11-21-37-38-22-12-20-34(42(38)44-41(33)37)30-25-27-32(28-26-30)43(31-15-5-2-6-16-31)39-23-9-7-17-35(39)36-18-8-10-24-40(36)43/h1-18,20-28,33H,19H2.
What are the key properties of 4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-3,4-dihydrodibenzothiophene?
4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-3,4-dihydrodibenzothiophene has a molecular weight of 578.78 g/mol, XLogP of 11.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-3,4-dihydrodibenzothiophene is sourced from PubChem (CID 67121719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).