1-dibenzothiophen-2-yl-6-(1-naphthalen-2-yl-2-phenylindol-5-yl)-2-phenylindole

C50H32N2S — CID 144508678

IUPAC1-dibenzothiophen-2-yl-6-(1-naphthalen-2-yl-2-phenylindol-5-yl)-2-phenylindole
SMILESc1ccc(-c2cc3cc(-c4ccc5cc(-c6ccccc6)n(-c6ccc7sc8ccccc8c7c6)c5c4)ccc3n2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C50H32N2S/c1-3-12-34(13-4-1)46-30-39-20-19-38(29-48(39)52(46)42-24-26-50-44(32-42)43-17-9-10-18-49(43)53-50)37-22-25-45-40(27-37)31-47(35-14-5-2-6-15-35)51(45)41-23-21-33-11-7-8-16-36(33)28-41/h1-32H
InChIKeyVQCKPUXOBBZWPM-UHFFFAOYSA-N
MW692.89 g/mol
LogP14.10
Rot. Bonds5

About 1-dibenzothiophen-2-yl-6-(1-naphthalen-2-yl-2-phenylindol-5-yl)-2-phenylindole

1-dibenzothiophen-2-yl-6-(1-naphthalen-2-yl-2-phenylindol-5-yl)-2-phenylindole (PubChem CID 144508678) has the molecular formula C50H32N2S and a molecular weight of 692.89 g/mol. Its IUPAC name is 1-dibenzothiophen-2-yl-6-(1-naphthalen-2-yl-2-phenylindol-5-yl)-2-phenylindole.

Molecular Properties

Compound Name1-dibenzothiophen-2-yl-6-(1-naphthalen-2-yl-2-phenylindol-5-yl)-2-phenylindole
PubChem CID144508678
Molecular FormulaC50H32N2S
Molecular Weight692.89 g/mol
Exact Mass692.23
IUPAC Name1-dibenzothiophen-2-yl-6-(1-naphthalen-2-yl-2-phenylindol-5-yl)-2-phenylindole
SMILESc1ccc(-c2cc3cc(-c4ccc5cc(-c6ccccc6)n(-c6ccc7sc8ccccc8c7c6)c5c4)ccc3n2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C50H32N2S/c1-3-12-34(13-4-1)46-30-39-20-19-38(29-48(39)52(46)42-24-26-50-44(32-42)43-17-9-10-18-49(43)53-50)37-22-25-45-40(27-37)31-47(35-14-5-2-6-15-35)51(45)41-23-21-33-11-7-8-16-36(33)28-41/h1-32H
InChIKeyVQCKPUXOBBZWPM-UHFFFAOYSA-N
XLogP14.10
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.89
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dinaphthalen-2-yl-6-(2-naphthalen-2-yl-1-phenylindol-5-yl)indole
CID 144508733
9-(6-carbazol-9-yl-9-dibenzothiophen-2-yl-10-naphthalen-2-ylanthracen-2-yl)carbazole
CID 59220859
2-(1-dibenzothiophen-2-ylindol-6-yl)-9-naphthalen-2-ylcarbazole
CID 130232567
2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole
CID 167243996
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine
CID 170287242
3-dibenzothiophen-2-yl-9-(6-methylnaphthalen-2-yl)carbazole
CID 145167239
CID 144619443
CID 144619443
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 90211472
2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[6-(2-dibenzothiophen-2-ylcarbazol-9-yl)naphthalen-2-yl]-1,3,5-triazin-2-yl]carbazole
CID 126632178
22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-naphthalen-2-yl-10-thia-22-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene
CID 118668002
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzofuran-2-yl-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-naphthalen-2-ylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 158742909

Frequently Asked Questions

What is the IUPAC name of 1-dibenzothiophen-2-yl-6-(1-naphthalen-2-yl-2-phenylindol-5-yl)-2-phenylindole?
The IUPAC name of 1-dibenzothiophen-2-yl-6-(1-naphthalen-2-yl-2-phenylindol-5-yl)-2-phenylindole (CID 144508678) is 1-dibenzothiophen-2-yl-6-(1-naphthalen-2-yl-2-phenylindol-5-yl)-2-phenylindole.
What is the SMILES notation for 1-dibenzothiophen-2-yl-6-(1-naphthalen-2-yl-2-phenylindol-5-yl)-2-phenylindole?
The canonical SMILES for 1-dibenzothiophen-2-yl-6-(1-naphthalen-2-yl-2-phenylindol-5-yl)-2-phenylindole is c1ccc(-c2cc3cc(-c4ccc5cc(-c6ccccc6)n(-c6ccc7sc8ccccc8c7c6)c5c4)ccc3n2-c2ccc3ccccc3c2)cc1.
What is the InChIKey of 1-dibenzothiophen-2-yl-6-(1-naphthalen-2-yl-2-phenylindol-5-yl)-2-phenylindole?
The InChIKey is VQCKPUXOBBZWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2S/c1-3-12-34(13-4-1)46-30-39-20-19-38(29-48(39)52(46)42-24-26-50-44(32-42)43-17-9-10-18-49(43)53-50)37-22-25-45-40(27-37)31-47(35-14-5-2-6-15-35)51(45)41-23-21-33-11-7-8-16-36(33)28-41/h1-32H.
What are the key properties of 1-dibenzothiophen-2-yl-6-(1-naphthalen-2-yl-2-phenylindol-5-yl)-2-phenylindole?
1-dibenzothiophen-2-yl-6-(1-naphthalen-2-yl-2-phenylindol-5-yl)-2-phenylindole has a molecular weight of 692.89 g/mol, XLogP of 14.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzothiophen-2-yl-6-(1-naphthalen-2-yl-2-phenylindol-5-yl)-2-phenylindole is sourced from PubChem (CID 144508678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).