5-phenyl-12-[8-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]indolo[3,2-c]carbazole

C60H36N4S — CID 170394006

IUPAC5-phenyl-12-[8-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]indolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc5sc6ccc(-n7c8ccccc8c8ccc9c(c%10ccccc%10n9-c9ccccc9)c87)cc6c5c4)c23)cc1
InChIInChI=1S/C60H36N4S/c1-3-15-37(16-4-1)61-51-25-13-9-21-45(51)57-53(61)31-29-43-41-19-7-11-23-49(41)63(59(43)57)39-27-33-55-47(35-39)48-36-40(28-34-56(48)65-55)64-50-24-12-8-20-42(50)44-30-32-54-58(60(44)64)46-22-10-14-26-52(46)62(54)38-17-5-2-6-18-38/h1-36H
InChIKeyVFJWKILBLBBJAW-UHFFFAOYSA-N
MW845.04 g/mol
LogP16.44
Rot. Bonds4

About 5-phenyl-12-[8-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]indolo[3,2-c]carbazole

5-phenyl-12-[8-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]indolo[3,2-c]carbazole (PubChem CID 170394006) has the molecular formula C60H36N4S and a molecular weight of 845.04 g/mol. Its IUPAC name is 5-phenyl-12-[8-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-phenyl-12-[8-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]indolo[3,2-c]carbazole
PubChem CID170394006
Molecular FormulaC60H36N4S
Molecular Weight845.04 g/mol
Exact Mass844.27
IUPAC Name5-phenyl-12-[8-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]indolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc5sc6ccc(-n7c8ccccc8c8ccc9c(c%10ccccc%10n9-c9ccccc9)c87)cc6c5c4)c23)cc1
InChIInChI=1S/C60H36N4S/c1-3-15-37(16-4-1)61-51-25-13-9-21-45(51)57-53(61)31-29-43-41-19-7-11-23-49(41)63(59(43)57)39-27-33-55-47(35-39)48-36-40(28-34-56(48)65-55)64-50-24-12-8-20-42(50)44-30-32-54-58(60(44)64)46-22-10-14-26-52(46)62(54)38-17-5-2-6-18-38/h1-36H
InChIKeyVFJWKILBLBBJAW-UHFFFAOYSA-N
XLogP16.44
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.04
LogP ≤ 516.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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3-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-12-phenylindolo[3,2-c]carbazole
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CID 88917462

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-12-[8-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]indolo[3,2-c]carbazole?
The IUPAC name of 5-phenyl-12-[8-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]indolo[3,2-c]carbazole (CID 170394006) is 5-phenyl-12-[8-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]indolo[3,2-c]carbazole.
What is the SMILES notation for 5-phenyl-12-[8-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]indolo[3,2-c]carbazole?
The canonical SMILES for 5-phenyl-12-[8-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]indolo[3,2-c]carbazole is c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc5sc6ccc(-n7c8ccccc8c8ccc9c(c%10ccccc%10n9-c9ccccc9)c87)cc6c5c4)c23)cc1.
What is the InChIKey of 5-phenyl-12-[8-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]indolo[3,2-c]carbazole?
The InChIKey is VFJWKILBLBBJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N4S/c1-3-15-37(16-4-1)61-51-25-13-9-21-45(51)57-53(61)31-29-43-41-19-7-11-23-49(41)63(59(43)57)39-27-33-55-47(35-39)48-36-40(28-34-56(48)65-55)64-50-24-12-8-20-42(50)44-30-32-54-58(60(44)64)46-22-10-14-26-52(46)62(54)38-17-5-2-6-18-38/h1-36H.
What are the key properties of 5-phenyl-12-[8-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]indolo[3,2-c]carbazole?
5-phenyl-12-[8-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]indolo[3,2-c]carbazole has a molecular weight of 845.04 g/mol, XLogP of 16.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-12-[8-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]indolo[3,2-c]carbazole is sourced from PubChem (CID 170394006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).