2-(1-dibenzothiophen-2-ylindol-6-yl)-9-naphthalen-2-ylcarbazole

C42H26N2S — CID 130232567

IUPAC2-(1-dibenzothiophen-2-ylindol-6-yl)-9-naphthalen-2-ylcarbazole
SMILESc1ccc2cc(-n3c4ccccc4c4ccc(-c5ccc6ccn(-c7ccc8sc9ccccc9c8c7)c6c5)cc43)ccc2c1
InChIInChI=1S/C42H26N2S/c1-2-8-29-23-33(17-15-27(29)7-1)44-38-11-5-3-9-34(38)35-19-16-31(25-40(35)44)30-14-13-28-21-22-43(39(28)24-30)32-18-20-42-37(26-32)36-10-4-6-12-41(36)45-42/h1-26H
InChIKeyQOLQDRIFVQKLTL-UHFFFAOYSA-N
MW590.75 g/mol
LogP11.92
Rot. Bonds3

About 2-(1-dibenzothiophen-2-ylindol-6-yl)-9-naphthalen-2-ylcarbazole

2-(1-dibenzothiophen-2-ylindol-6-yl)-9-naphthalen-2-ylcarbazole (PubChem CID 130232567) has the molecular formula C42H26N2S and a molecular weight of 590.75 g/mol. Its IUPAC name is 2-(1-dibenzothiophen-2-ylindol-6-yl)-9-naphthalen-2-ylcarbazole.

Molecular Properties

Compound Name2-(1-dibenzothiophen-2-ylindol-6-yl)-9-naphthalen-2-ylcarbazole
PubChem CID130232567
Molecular FormulaC42H26N2S
Molecular Weight590.75 g/mol
Exact Mass590.18
IUPAC Name2-(1-dibenzothiophen-2-ylindol-6-yl)-9-naphthalen-2-ylcarbazole
SMILESc1ccc2cc(-n3c4ccccc4c4ccc(-c5ccc6ccn(-c7ccc8sc9ccccc9c8c7)c6c5)cc43)ccc2c1
InChIInChI=1S/C42H26N2S/c1-2-8-29-23-33(17-15-27(29)7-1)44-38-11-5-3-9-34(38)35-19-16-31(25-40(35)44)30-14-13-28-21-22-43(39(28)24-30)32-18-20-42-37(26-32)36-10-4-6-12-41(36)45-42/h1-26H
InChIKeyQOLQDRIFVQKLTL-UHFFFAOYSA-N
XLogP11.92
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.75
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine
CID 170287242
9-(6-carbazol-9-yl-9-dibenzothiophen-2-yl-10-naphthalen-2-ylanthracen-2-yl)carbazole
CID 59220859
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
9-(7-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170278398
2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole
CID 167243996
9-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)carbazole
CID 170688683
2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)-9-naphthalen-2-ylcarbazole
CID 163886851
3-dibenzothiophen-2-yl-9-(6-methylnaphthalen-2-yl)carbazole
CID 145167239
CID 144619443
CID 144619443
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9-methylcarbazol-3-yl)carbazole
CID 71232770
1-dibenzothiophen-2-yl-6-(1-naphthalen-2-yl-2-phenylindol-5-yl)-2-phenylindole
CID 144508678
9-phenyl-3-(1-triphenylen-2-ylindol-6-yl)carbazole
CID 130233155

Frequently Asked Questions

What is the IUPAC name of 2-(1-dibenzothiophen-2-ylindol-6-yl)-9-naphthalen-2-ylcarbazole?
The IUPAC name of 2-(1-dibenzothiophen-2-ylindol-6-yl)-9-naphthalen-2-ylcarbazole (CID 130232567) is 2-(1-dibenzothiophen-2-ylindol-6-yl)-9-naphthalen-2-ylcarbazole.
What is the SMILES notation for 2-(1-dibenzothiophen-2-ylindol-6-yl)-9-naphthalen-2-ylcarbazole?
The canonical SMILES for 2-(1-dibenzothiophen-2-ylindol-6-yl)-9-naphthalen-2-ylcarbazole is c1ccc2cc(-n3c4ccccc4c4ccc(-c5ccc6ccn(-c7ccc8sc9ccccc9c8c7)c6c5)cc43)ccc2c1.
What is the InChIKey of 2-(1-dibenzothiophen-2-ylindol-6-yl)-9-naphthalen-2-ylcarbazole?
The InChIKey is QOLQDRIFVQKLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2S/c1-2-8-29-23-33(17-15-27(29)7-1)44-38-11-5-3-9-34(38)35-19-16-31(25-40(35)44)30-14-13-28-21-22-43(39(28)24-30)32-18-20-42-37(26-32)36-10-4-6-12-41(36)45-42/h1-26H.
What are the key properties of 2-(1-dibenzothiophen-2-ylindol-6-yl)-9-naphthalen-2-ylcarbazole?
2-(1-dibenzothiophen-2-ylindol-6-yl)-9-naphthalen-2-ylcarbazole has a molecular weight of 590.75 g/mol, XLogP of 11.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-dibenzothiophen-2-ylindol-6-yl)-9-naphthalen-2-ylcarbazole is sourced from PubChem (CID 130232567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).