3-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole

C63H38N6S — CID 168729495

IUPAC3-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6cc(-n7c8ccccc8c8ccccc87)ccc6n(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)sc7ccccc78)n6)c5c43)cc2)cc1
InChIInChI=1S/C63H38N6S/c1-3-15-39(16-4-1)40-27-30-43(31-28-40)68-55-25-13-9-21-47(55)50-34-35-51-52-38-44(67-53-23-11-7-19-45(53)46-20-8-12-24-54(46)67)32-36-56(52)69(60(51)59(50)68)63-65-61(41-17-5-2-6-18-41)64-62(66-63)42-29-33-49-48-22-10-14-26-57(48)70-58(49)37-42/h1-38H
InChIKeySNSVPJYYCKMZCY-UHFFFAOYSA-N
MW911.11 g/mol
LogP16.53
Rot. Bonds6

About 3-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole

3-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole (PubChem CID 168729495) has the molecular formula C63H38N6S and a molecular weight of 911.11 g/mol. Its IUPAC name is 3-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
PubChem CID168729495
Molecular FormulaC63H38N6S
Molecular Weight911.11 g/mol
Exact Mass910.29
IUPAC Name3-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6cc(-n7c8ccccc8c8ccccc87)ccc6n(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)sc7ccccc78)n6)c5c43)cc2)cc1
InChIInChI=1S/C63H38N6S/c1-3-15-39(16-4-1)40-27-30-43(31-28-40)68-55-25-13-9-21-47(55)50-34-35-51-52-38-44(67-53-23-11-7-19-45(53)46-20-8-12-24-54(46)67)32-36-56(52)69(60(51)59(50)68)63-65-61(41-17-5-2-6-18-41)64-62(66-63)42-29-33-49-48-22-10-14-26-57(48)70-58(49)37-42/h1-38H
InChIKeySNSVPJYYCKMZCY-UHFFFAOYSA-N
XLogP16.53
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.11
LogP ≤ 516.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 134168913
12-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 147484306
3-carbazol-9-yl-12-(4-phenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 168729477
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-11-phenylindolo[2,3-a]carbazole
CID 168729522
12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole;12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole;7-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 163544505
11-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 134168992
12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165480
9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole
CID 166953184
9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazole;9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3-(10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazole;9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3-(10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazole
CID 157308246
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
CID 159838737
11-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole
CID 166915369
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-12-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 168729405

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole?
The IUPAC name of 3-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole (CID 168729495) is 3-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole?
The canonical SMILES for 3-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6cc(-n7c8ccccc8c8ccccc87)ccc6n(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)sc7ccccc78)n6)c5c43)cc2)cc1.
What is the InChIKey of 3-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole?
The InChIKey is SNSVPJYYCKMZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N6S/c1-3-15-39(16-4-1)40-27-30-43(31-28-40)68-55-25-13-9-21-47(55)50-34-35-51-52-38-44(67-53-23-11-7-19-45(53)46-20-8-12-24-54(46)67)32-36-56(52)69(60(51)59(50)68)63-65-61(41-17-5-2-6-18-41)64-62(66-63)42-29-33-49-48-22-10-14-26-57(48)70-58(49)37-42/h1-38H.
What are the key properties of 3-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole?
3-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole has a molecular weight of 911.11 g/mol, XLogP of 16.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole is sourced from PubChem (CID 168729495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).