4-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]dibenzothiophene

C37H26S — CID 121287741

IUPAC4-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]dibenzothiophene
SMILESCC1(C)c2ccccc2-c2c1cc(-c1cccc(-c3cccc4c3sc3ccccc34)c1)c1ccccc21
InChIInChI=1S/C37H26S/c1-37(2)32-19-7-5-16-30(32)35-28-15-4-3-13-26(28)31(22-33(35)37)24-12-9-11-23(21-24)25-17-10-18-29-27-14-6-8-20-34(27)38-36(25)29/h3-22H,1-2H3
InChIKeyVKEQGUCAMPJXCU-UHFFFAOYSA-N
MW502.68 g/mol
LogP10.85
Rot. Bonds2

About 4-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]dibenzothiophene

4-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]dibenzothiophene (PubChem CID 121287741) has the molecular formula C37H26S and a molecular weight of 502.68 g/mol. Its IUPAC name is 4-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]dibenzothiophene.

Molecular Properties

Compound Name4-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]dibenzothiophene
PubChem CID121287741
Molecular FormulaC37H26S
Molecular Weight502.68 g/mol
Exact Mass502.18
IUPAC Name4-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]dibenzothiophene
SMILESCC1(C)c2ccccc2-c2c1cc(-c1cccc(-c3cccc4c3sc3ccccc34)c1)c1ccccc21
InChIInChI=1S/C37H26S/c1-37(2)32-19-7-5-16-30(32)35-28-15-4-3-13-26(28)31(22-33(35)37)24-12-9-11-23(21-24)25-17-10-18-29-27-14-6-8-20-34(27)38-36(25)29/h3-22H,1-2H3
InChIKeyVKEQGUCAMPJXCU-UHFFFAOYSA-N
XLogP10.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.68
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]dibenzothiophene 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

4-[3-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)phenyl]dibenzothiophene
CID 121287755
4-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 59758491
4-(5,9,9-trimethylfluoren-2-yl)dibenzothiophene
CID 146397266
N-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-phenyldibenzothiophen-4-amine
CID 90129132
2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylfluoren-4-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 156828286
2-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 156828267
4-(3-dibenzothiophen-4-yl-5-naphthalen-1-ylphenyl)-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
CID 171585376
7,7-dimethyl-5-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[4,3-b][1]benzothiole
CID 122426130
12,12-dimethyl-7-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12,12-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;4-[2-(12,12-dimethyl-6-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)phenyl]dibenzothiophene
CID 159603460
4-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-6-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171585418
2-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 156828284
N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121323910

Frequently Asked Questions

What is the IUPAC name of 4-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]dibenzothiophene?
The IUPAC name of 4-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]dibenzothiophene (CID 121287741) is 4-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]dibenzothiophene.
What is the SMILES notation for 4-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]dibenzothiophene?
The canonical SMILES for 4-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]dibenzothiophene is CC1(C)c2ccccc2-c2c1cc(-c1cccc(-c3cccc4c3sc3ccccc34)c1)c1ccccc21.
What is the InChIKey of 4-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]dibenzothiophene?
The InChIKey is VKEQGUCAMPJXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26S/c1-37(2)32-19-7-5-16-30(32)35-28-15-4-3-13-26(28)31(22-33(35)37)24-12-9-11-23(21-24)25-17-10-18-29-27-14-6-8-20-34(27)38-36(25)29/h3-22H,1-2H3.
What are the key properties of 4-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]dibenzothiophene?
4-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]dibenzothiophene has a molecular weight of 502.68 g/mol, XLogP of 10.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]dibenzothiophene is sourced from PubChem (CID 121287741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).