4-(9-phenyl-4,4a-dihydrofluoren-9-yl)dibenzothiophene

C31H22S — CID 70991495

IUPAC4-(9-phenyl-4,4a-dihydrofluoren-9-yl)dibenzothiophene
SMILESC1=CCC2C(=C1)C(c1ccccc1)(c1cccc3c1sc1ccccc13)c1ccccc12
InChIInChI=1S/C31H22S/c1-2-11-21(12-3-1)31(26-17-7-4-13-22(26)23-14-5-8-18-27(23)31)28-19-10-16-25-24-15-6-9-20-29(24)32-30(25)28/h1-13,15-20,23H,14H2
InChIKeyZFQAIYJMAQEJBT-UHFFFAOYSA-N
MW426.58 g/mol
LogP8.37
Rot. Bonds2

About 4-(9-phenyl-4,4a-dihydrofluoren-9-yl)dibenzothiophene

4-(9-phenyl-4,4a-dihydrofluoren-9-yl)dibenzothiophene (PubChem CID 70991495) has the molecular formula C31H22S and a molecular weight of 426.58 g/mol. Its IUPAC name is 4-(9-phenyl-4,4a-dihydrofluoren-9-yl)dibenzothiophene.

Molecular Properties

Compound Name4-(9-phenyl-4,4a-dihydrofluoren-9-yl)dibenzothiophene
PubChem CID70991495
Molecular FormulaC31H22S
Molecular Weight426.58 g/mol
Exact Mass426.14
IUPAC Name4-(9-phenyl-4,4a-dihydrofluoren-9-yl)dibenzothiophene
SMILESC1=CCC2C(=C1)C(c1ccccc1)(c1cccc3c1sc1ccccc13)c1ccccc12
InChIInChI=1S/C31H22S/c1-2-11-21(12-3-1)31(26-17-7-4-13-22(26)23-14-5-8-18-27(23)31)28-19-10-16-25-24-15-6-9-20-29(24)32-30(25)28/h1-13,15-20,23H,14H2
InChIKeyZFQAIYJMAQEJBT-UHFFFAOYSA-N
XLogP8.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.58
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

spiro[4,4a-dihydrofluorene-9,9'-xanthene]
CID 155576891
N,4-diphenyl-N-(4-spiro[4b,5-dihydrofluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-1-ylphenyl)aniline
CID 130380191
16-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19-decaene
CID 130212822
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-spiro[4,4a-dihydrofluorene-9,9'-fluorene]-1'-ylbenzene-1,4-diamine
CID 71249416
4-cyclopropyldibenzothiophene
CID 54752889
N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4,4a-dihydrofluoren-2-amine
CID 121381460
2-dibenzothiophen-4-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine
CID 164821282
4-[4-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]phenyl]dibenzothiophene
CID 66686478
4-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115866
4-[4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]dibenzothiophene
CID 139307562
10-[4-[4,6-bis(1-adamantyl)-1,3,5-triazin-2-yl]-3,5-dimethylphenyl]-9-dibenzothiophen-4-yl-9-phenylacridine
CID 146513570
4-(6-phenylspiro[1,9a-dihydrofluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]-8'-yl)dibenzothiophene
CID 88558300

Frequently Asked Questions

What is the IUPAC name of 4-(9-phenyl-4,4a-dihydrofluoren-9-yl)dibenzothiophene?
The IUPAC name of 4-(9-phenyl-4,4a-dihydrofluoren-9-yl)dibenzothiophene (CID 70991495) is 4-(9-phenyl-4,4a-dihydrofluoren-9-yl)dibenzothiophene.
What is the SMILES notation for 4-(9-phenyl-4,4a-dihydrofluoren-9-yl)dibenzothiophene?
The canonical SMILES for 4-(9-phenyl-4,4a-dihydrofluoren-9-yl)dibenzothiophene is C1=CCC2C(=C1)C(c1ccccc1)(c1cccc3c1sc1ccccc13)c1ccccc12.
What is the InChIKey of 4-(9-phenyl-4,4a-dihydrofluoren-9-yl)dibenzothiophene?
The InChIKey is ZFQAIYJMAQEJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22S/c1-2-11-21(12-3-1)31(26-17-7-4-13-22(26)23-14-5-8-18-27(23)31)28-19-10-16-25-24-15-6-9-20-29(24)32-30(25)28/h1-13,15-20,23H,14H2.
What are the key properties of 4-(9-phenyl-4,4a-dihydrofluoren-9-yl)dibenzothiophene?
4-(9-phenyl-4,4a-dihydrofluoren-9-yl)dibenzothiophene has a molecular weight of 426.58 g/mol, XLogP of 8.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-phenyl-4,4a-dihydrofluoren-9-yl)dibenzothiophene is sourced from PubChem (CID 70991495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).