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

C57H36N6 — CID 168729598

IUPAC12-carbazol-9-yl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccccc76)c6c(cc54)c4ccccc4n6-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C57H36N6/c1-4-18-37(19-5-1)38-32-34-40(35-33-38)56-58-55(39-20-6-2-7-21-39)59-57(60-56)63-50-31-17-13-27-45(50)52-51(63)36-46-44-26-12-14-28-47(44)61(41-22-8-3-9-23-41)53(46)54(52)62-48-29-15-10-24-42(48)43-25-11-16-30-49(43)62/h1-36H
InChIKeyOBMNNRWWRQVWQZ-UHFFFAOYSA-N
MW804.96 g/mol
LogP14.16
Rot. Bonds6

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

12-carbazol-9-yl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole (PubChem CID 168729598) has the molecular formula C57H36N6 and a molecular weight of 804.96 g/mol. Its IUPAC name is 12-carbazol-9-yl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole.

Molecular Properties

Compound Name12-carbazol-9-yl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
PubChem CID168729598
Molecular FormulaC57H36N6
Molecular Weight804.96 g/mol
Exact Mass804.30
IUPAC Name12-carbazol-9-yl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccccc76)c6c(cc54)c4ccccc4n6-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C57H36N6/c1-4-18-37(19-5-1)38-32-34-40(35-33-38)56-58-55(39-20-6-2-7-21-39)59-57(60-56)63-50-31-17-13-27-45(50)52-51(63)36-46-44-26-12-14-28-47(44)61(41-22-8-3-9-23-41)53(46)54(52)62-48-29-15-10-24-42(48)43-25-11-16-30-49(43)62/h1-36H
InChIKeyOBMNNRWWRQVWQZ-UHFFFAOYSA-N
XLogP14.16
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.96
LogP ≤ 514.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

11,12-diphenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 170255530
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5,12-diphenylindolo[3,2-b]carbazole
CID 170255532
12-phenyl-5-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 164799948
6-carbazol-9-yl-5-phenyl-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 168729529
6,7-dideuterio-12-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 176824418
11-[4-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
CID 169014141
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,6-diphenylindolo[3,2-c]carbazole
CID 129141720
5-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 162363120
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7,12-diphenylindolo[2,3-b]carbazole
CID 170255499
5-bromo-11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255683
6-phenyl-12-(4-phenylphenyl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 170255476
5,11-diphenyl-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255259

Frequently Asked Questions

What is the IUPAC name of 12-carbazol-9-yl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole?
The IUPAC name of 12-carbazol-9-yl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole (CID 168729598) is 12-carbazol-9-yl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole.
What is the SMILES notation for 12-carbazol-9-yl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole?
The canonical SMILES for 12-carbazol-9-yl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccccc76)c6c(cc54)c4ccccc4n6-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 12-carbazol-9-yl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole?
The InChIKey is OBMNNRWWRQVWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N6/c1-4-18-37(19-5-1)38-32-34-40(35-33-38)56-58-55(39-20-6-2-7-21-39)59-57(60-56)63-50-31-17-13-27-45(50)52-51(63)36-46-44-26-12-14-28-47(44)61(41-22-8-3-9-23-41)53(46)54(52)62-48-29-15-10-24-42(48)43-25-11-16-30-49(43)62/h1-36H.
What are the key properties of 12-carbazol-9-yl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole?
12-carbazol-9-yl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole has a molecular weight of 804.96 g/mol, XLogP of 14.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-carbazol-9-yl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole is sourced from PubChem (CID 168729598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).