1-dibenzothiophen-2-yl-3,5-bis(4-phenylphenyl)indole

C44H29NS — CID 126620581

IUPAC1-dibenzothiophen-2-yl-3,5-bis(4-phenylphenyl)indole
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)c(-c3ccc(-c5ccccc5)cc3)cn4-c3ccc4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C44H29NS/c1-3-9-30(10-4-1)32-15-17-34(18-16-32)36-23-25-42-39(27-36)41(35-21-19-33(20-22-35)31-11-5-2-6-12-31)29-45(42)37-24-26-44-40(28-37)38-13-7-8-14-43(38)46-44/h1-29H
InChIKeyDMZUJAUZTRWBLF-UHFFFAOYSA-N
MW603.79 g/mol
LogP12.67
Rot. Bonds5

About 1-dibenzothiophen-2-yl-3,5-bis(4-phenylphenyl)indole

1-dibenzothiophen-2-yl-3,5-bis(4-phenylphenyl)indole (PubChem CID 126620581) has the molecular formula C44H29NS and a molecular weight of 603.79 g/mol. Its IUPAC name is 1-dibenzothiophen-2-yl-3,5-bis(4-phenylphenyl)indole.

Molecular Properties

Compound Name1-dibenzothiophen-2-yl-3,5-bis(4-phenylphenyl)indole
PubChem CID126620581
Molecular FormulaC44H29NS
Molecular Weight603.79 g/mol
Exact Mass603.20
IUPAC Name1-dibenzothiophen-2-yl-3,5-bis(4-phenylphenyl)indole
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)c(-c3ccc(-c5ccccc5)cc3)cn4-c3ccc4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C44H29NS/c1-3-9-30(10-4-1)32-15-17-34(18-16-32)36-23-25-42-39(27-36)41(35-21-19-33(20-22-35)31-11-5-2-6-12-31)29-45(42)37-24-26-44-40(28-37)38-13-7-8-14-43(38)46-44/h1-29H
InChIKeyDMZUJAUZTRWBLF-UHFFFAOYSA-N
XLogP12.67
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.79
LogP ≤ 512.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,9-di(dibenzothiophen-2-yl)-1,3-diphenylcarbazole
CID 123584276
1-(3,5-diphenylphenyl)-3,5-bis[4-(4-phenylphenyl)phenyl]indole
CID 126620681
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9-methylcarbazol-3-yl)carbazole
CID 71232770
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488
9-dibenzothiophen-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072885
6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-2-phenyl-9-(2-phenylphenyl)carbazole
CID 170072587
1-[4-(8-phenyldibenzofuran-2-yl)phenyl]-3,5-bis(4-phenylphenyl)indole
CID 126620700
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158199615
9-dibenzothiophen-2-yl-3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazole
CID 164756625
1-(5-methyldibenzothiophen-5-ium-3-yl)-3,5-bis(4-phenylphenyl)indole
CID 145261669
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole
CID 163988724

Frequently Asked Questions

What is the IUPAC name of 1-dibenzothiophen-2-yl-3,5-bis(4-phenylphenyl)indole?
The IUPAC name of 1-dibenzothiophen-2-yl-3,5-bis(4-phenylphenyl)indole (CID 126620581) is 1-dibenzothiophen-2-yl-3,5-bis(4-phenylphenyl)indole.
What is the SMILES notation for 1-dibenzothiophen-2-yl-3,5-bis(4-phenylphenyl)indole?
The canonical SMILES for 1-dibenzothiophen-2-yl-3,5-bis(4-phenylphenyl)indole is c1ccc(-c2ccc(-c3ccc4c(c3)c(-c3ccc(-c5ccccc5)cc3)cn4-c3ccc4sc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of 1-dibenzothiophen-2-yl-3,5-bis(4-phenylphenyl)indole?
The InChIKey is DMZUJAUZTRWBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NS/c1-3-9-30(10-4-1)32-15-17-34(18-16-32)36-23-25-42-39(27-36)41(35-21-19-33(20-22-35)31-11-5-2-6-12-31)29-45(42)37-24-26-44-40(28-37)38-13-7-8-14-43(38)46-44/h1-29H.
What are the key properties of 1-dibenzothiophen-2-yl-3,5-bis(4-phenylphenyl)indole?
1-dibenzothiophen-2-yl-3,5-bis(4-phenylphenyl)indole has a molecular weight of 603.79 g/mol, XLogP of 12.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzothiophen-2-yl-3,5-bis(4-phenylphenyl)indole is sourced from PubChem (CID 126620581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).