1-[1-(5-methyl-7,7-diphenylbenzo[g]fluoren-9-yl)propan-2-yl]dibenzothiophene

C45H34S — CID 144614094

IUPAC1-[1-(5-methyl-7,7-diphenylbenzo[g]fluoren-9-yl)propan-2-yl]dibenzothiophene
SMILESCc1cc2c(c3ccccc13)-c1ccc(CC(C)c3cccc4sc5ccccc5c34)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C45H34S/c1-29(35-21-13-23-42-44(35)38-20-11-12-22-41(38)46-42)26-31-24-25-37-39(28-31)45(32-14-5-3-6-15-32,33-16-7-4-8-17-33)40-27-30(2)34-18-9-10-19-36(34)43(37)40/h3-25,27-29H,26H2,1-2H3
InChIKeyLOXUIPVZCCRGPQ-UHFFFAOYSA-N
MW606.83 g/mol
LogP12.23
Rot. Bonds5

About 1-[1-(5-methyl-7,7-diphenylbenzo[g]fluoren-9-yl)propan-2-yl]dibenzothiophene

1-[1-(5-methyl-7,7-diphenylbenzo[g]fluoren-9-yl)propan-2-yl]dibenzothiophene (PubChem CID 144614094) has the molecular formula C45H34S and a molecular weight of 606.83 g/mol. Its IUPAC name is 1-[1-(5-methyl-7,7-diphenylbenzo[g]fluoren-9-yl)propan-2-yl]dibenzothiophene.

Molecular Properties

Compound Name1-[1-(5-methyl-7,7-diphenylbenzo[g]fluoren-9-yl)propan-2-yl]dibenzothiophene
PubChem CID144614094
Molecular FormulaC45H34S
Molecular Weight606.83 g/mol
Exact Mass606.24
IUPAC Name1-[1-(5-methyl-7,7-diphenylbenzo[g]fluoren-9-yl)propan-2-yl]dibenzothiophene
SMILESCc1cc2c(c3ccccc13)-c1ccc(CC(C)c3cccc4sc5ccccc5c34)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C45H34S/c1-29(35-21-13-23-42-44(35)38-20-11-12-22-41(38)46-42)26-31-24-25-37-39(28-31)45(32-14-5-3-6-15-32,33-16-7-4-8-17-33)40-27-30(2)34-18-9-10-19-36(34)43(37)40/h3-25,27-29H,26H2,1-2H3
InChIKeyLOXUIPVZCCRGPQ-UHFFFAOYSA-N
XLogP12.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.83
LogP ≤ 512.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-7,7-diphenyl-9-(2-phenylprop-1-enyl)benzo[c]fluorene
CID 59575154
4-(5-methylspiro[benzo[g]fluorene-7,9'-fluorene]-9-yl)dibenzothiophene
CID 90128977
7,7-bis(4-hexylphenyl)-5,9-dimethylbenzo[c]fluorene
CID 140661825
2',7'-diethylspiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]
CID 122504097
1-[(2S)-hexan-2-yl]dibenzothiophene
CID 122642723
1-(4-methylnaphthalen-1-yl)dibenzothiophene
CID 156896766
5-bromo-9-methyl-7,7-diphenylbenzo[c]fluorene
CID 142714191
1-(1-phenylethyl)dibenzothiophene
CID 150655649
9-(14,14-diphenyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole
CID 118098886
N-(5-methyl-9,9-diphenylfluoren-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-2-amine
CID 171740916
4-[2-(9,9-dimethylfluoren-2-yl)-1-(4-phenylphenyl)ethyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]
CID 145291766
1-methyldibenzothiophene
CID 23839

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methyl-7,7-diphenylbenzo[g]fluoren-9-yl)propan-2-yl]dibenzothiophene?
The IUPAC name of 1-[1-(5-methyl-7,7-diphenylbenzo[g]fluoren-9-yl)propan-2-yl]dibenzothiophene (CID 144614094) is 1-[1-(5-methyl-7,7-diphenylbenzo[g]fluoren-9-yl)propan-2-yl]dibenzothiophene.
What is the SMILES notation for 1-[1-(5-methyl-7,7-diphenylbenzo[g]fluoren-9-yl)propan-2-yl]dibenzothiophene?
The canonical SMILES for 1-[1-(5-methyl-7,7-diphenylbenzo[g]fluoren-9-yl)propan-2-yl]dibenzothiophene is Cc1cc2c(c3ccccc13)-c1ccc(CC(C)c3cccc4sc5ccccc5c34)cc1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[1-(5-methyl-7,7-diphenylbenzo[g]fluoren-9-yl)propan-2-yl]dibenzothiophene?
The InChIKey is LOXUIPVZCCRGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34S/c1-29(35-21-13-23-42-44(35)38-20-11-12-22-41(38)46-42)26-31-24-25-37-39(28-31)45(32-14-5-3-6-15-32,33-16-7-4-8-17-33)40-27-30(2)34-18-9-10-19-36(34)43(37)40/h3-25,27-29H,26H2,1-2H3.
What are the key properties of 1-[1-(5-methyl-7,7-diphenylbenzo[g]fluoren-9-yl)propan-2-yl]dibenzothiophene?
1-[1-(5-methyl-7,7-diphenylbenzo[g]fluoren-9-yl)propan-2-yl]dibenzothiophene has a molecular weight of 606.83 g/mol, XLogP of 12.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methyl-7,7-diphenylbenzo[g]fluoren-9-yl)propan-2-yl]dibenzothiophene is sourced from PubChem (CID 144614094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).