5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole

C57H36N6 — CID 134597913

IUPAC5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3cccc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)c3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C57H36N6/c1-5-18-37(19-6-1)55-58-56(38-20-7-2-8-21-38)60-57(59-55)39-32-34-49-46(36-39)43-28-17-31-51(53(43)61(49)40-22-9-3-10-23-40)63-48-30-16-14-27-45(48)52-50(63)35-33-44-42-26-13-15-29-47(42)62(54(44)52)41-24-11-4-12-25-41/h1-36H
InChIKeyQQLWMFQLGJXHRB-UHFFFAOYSA-N
MW804.96 g/mol
LogP14.16
Rot. Bonds6

About 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole

5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 134597913) has the molecular formula C57H36N6 and a molecular weight of 804.96 g/mol. Its IUPAC name is 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole
PubChem CID134597913
Molecular FormulaC57H36N6
Molecular Weight804.96 g/mol
Exact Mass804.30
IUPAC Name5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3cccc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)c3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C57H36N6/c1-5-18-37(19-6-1)55-58-56(38-20-7-2-8-21-38)60-57(59-55)39-32-34-49-46(36-39)43-28-17-31-51(53(43)61(49)40-22-9-3-10-23-40)63-48-30-16-14-27-45(48)52-50(63)35-33-44-42-26-13-15-29-47(42)62(54(44)52)41-24-11-4-12-25-41/h1-36H
InChIKeyQQLWMFQLGJXHRB-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

5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 162500605
12-phenyl-5-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 164799948
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,9-diphenylindolo[3,2-c]carbazole
CID 126628139
12-phenyl-11-(3-phenylcarbazol-9-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 171591767
5-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 155183616
5-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 169014315
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 169014428
5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 139496723
5-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 162363120
5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 149424415
1-[3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
CID 168807774
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole
CID 170289089

Frequently Asked Questions

What is the IUPAC name of 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole (CID 134597913) is 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3cccc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)c3n4-c3ccccc3)n2)cc1.
What is the InChIKey of 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole?
The InChIKey is QQLWMFQLGJXHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N6/c1-5-18-37(19-6-1)55-58-56(38-20-7-2-8-21-38)60-57(59-55)39-32-34-49-46(36-39)43-28-17-31-51(53(43)61(49)40-22-9-3-10-23-40)63-48-30-16-14-27-45(48)52-50(63)35-33-44-42-26-13-15-29-47(42)62(54(44)52)41-24-11-4-12-25-41/h1-36H.
What are the key properties of 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole?
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]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 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 134597913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).