1-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-10H-indeno[1,2-g]indole

C39H25NS — CID 118316003

IUPAC1-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-10H-indeno[1,2-g]indole
SMILESc1ccc(C2c3ccccc3-c3ccc4ccn(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)c4c32)cc1
InChIInChI=1S/C39H25NS/c1-2-9-26(10-3-1)36-32-13-5-4-11-30(32)33-22-19-27-23-24-40(38(27)37(33)36)28-20-17-25(18-21-28)29-14-8-15-34-31-12-6-7-16-35(31)41-39(29)34/h1-24,36H
InChIKeyJYGFYGMUJDZOEW-UHFFFAOYSA-N
MW539.70 g/mol
LogP10.83
Rot. Bonds3

About 1-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-10H-indeno[1,2-g]indole

1-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-10H-indeno[1,2-g]indole (PubChem CID 118316003) has the molecular formula C39H25NS and a molecular weight of 539.70 g/mol. Its IUPAC name is 1-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-10H-indeno[1,2-g]indole.

Molecular Properties

Compound Name1-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-10H-indeno[1,2-g]indole
PubChem CID118316003
Molecular FormulaC39H25NS
Molecular Weight539.70 g/mol
Exact Mass539.17
IUPAC Name1-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-10H-indeno[1,2-g]indole
SMILESc1ccc(C2c3ccccc3-c3ccc4ccn(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)c4c32)cc1
InChIInChI=1S/C39H25NS/c1-2-9-26(10-3-1)36-32-13-5-4-11-30(32)33-22-19-27-23-24-40(38(27)37(33)36)28-20-17-25(18-21-28)29-14-8-15-34-31-12-6-7-16-35(31)41-39(29)34/h1-24,36H
InChIKeyJYGFYGMUJDZOEW-UHFFFAOYSA-N
XLogP10.83
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.70
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-g]indole
CID 123380075
4-(4-bromophenyl)dibenzothiophene;1-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-g]indole;1H-indeno[4,5-b][1]benzothiole
CID 159515967
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
10-phenyl-1-[4-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrrolo[2,3-a]carbazole
CID 118316007
5,10-di(dibenzothiophen-4-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27),24-tridecaene
CID 134428261
9-dibenzothiophen-4-yl-3-(9-phenyl-9H-fluoren-3-yl)carbazole
CID 126755928
12-[4-[4-[4-(12H-fluoreno[2,1-b][1]benzothiol-12-yl)phenyl]phenyl]phenyl]-12H-fluoreno[2,1-b][1]benzothiole
CID 139552921
10-(4-dibenzothiophen-4-ylphenyl)-3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315528
1-(4-dibenzothiophen-4-ylphenyl)imidazole
CID 175483044
4-(4-methylphenyl)dibenzothiophene;methylphosphane
CID 142353145
4-(4-methoxyphenyl)dibenzothiophene
CID 138456987

Frequently Asked Questions

What is the IUPAC name of 1-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-10H-indeno[1,2-g]indole?
The IUPAC name of 1-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-10H-indeno[1,2-g]indole (CID 118316003) is 1-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-10H-indeno[1,2-g]indole.
What is the SMILES notation for 1-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-10H-indeno[1,2-g]indole?
The canonical SMILES for 1-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-10H-indeno[1,2-g]indole is c1ccc(C2c3ccccc3-c3ccc4ccn(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)c4c32)cc1.
What is the InChIKey of 1-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-10H-indeno[1,2-g]indole?
The InChIKey is JYGFYGMUJDZOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25NS/c1-2-9-26(10-3-1)36-32-13-5-4-11-30(32)33-22-19-27-23-24-40(38(27)37(33)36)28-20-17-25(18-21-28)29-14-8-15-34-31-12-6-7-16-35(31)41-39(29)34/h1-24,36H.
What are the key properties of 1-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-10H-indeno[1,2-g]indole?
1-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-10H-indeno[1,2-g]indole has a molecular weight of 539.70 g/mol, XLogP of 10.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-10H-indeno[1,2-g]indole is sourced from PubChem (CID 118316003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).