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

C51H32N6 — CID 158439679

IUPAC12-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)n3)cc2)cc1
InChIInChI=1S/C51H32N6/c1-3-15-33(16-4-1)34-27-29-35(30-28-34)49-52-50(56-42-23-11-7-19-37(42)38-20-8-12-24-43(38)56)54-51(53-49)57-44-25-13-9-21-39(44)40-31-32-46-47(48(40)57)41-22-10-14-26-45(41)55(46)36-17-5-2-6-18-36/h1-32H
InChIKeyHCQSQTFMRPEZQR-UHFFFAOYSA-N
MW728.86 g/mol
LogP12.50
Rot. Bonds5

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

12-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole (PubChem CID 158439679) has the molecular formula C51H32N6 and a molecular weight of 728.86 g/mol. Its IUPAC name is 12-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
PubChem CID158439679
Molecular FormulaC51H32N6
Molecular Weight728.86 g/mol
Exact Mass728.27
IUPAC Name12-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)n3)cc2)cc1
InChIInChI=1S/C51H32N6/c1-3-15-33(16-4-1)34-27-29-35(30-28-34)49-52-50(56-42-23-11-7-19-37(42)38-20-8-12-24-43(38)56)54-51(53-49)57-44-25-13-9-21-39(44)40-31-32-46-47(48(40)57)41-22-10-14-26-45(41)55(46)36-17-5-2-6-18-36/h1-32H
InChIKeyHCQSQTFMRPEZQR-UHFFFAOYSA-N
XLogP12.50
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.86
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 162363120
12-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159270827
7-phenyl-5-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 164990213
5-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 129141708
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole;5-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;5-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 161319412
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 169037225
12-phenyl-5-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 164799948
5-(3-carbazol-9-ylphenyl)-12-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 88917477
2,5-diphenyl-9-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;5-phenyl-9-(4-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;2,5,9-triphenyl-12-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 165033294
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126628160
5,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole sulfide
CID 158568390
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 169014428

Frequently Asked Questions

What is the IUPAC name of 12-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole?
The IUPAC name of 12-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole (CID 158439679) is 12-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 12-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 12-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole is c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)n3)cc2)cc1.
What is the InChIKey of 12-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole?
The InChIKey is HCQSQTFMRPEZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N6/c1-3-15-33(16-4-1)34-27-29-35(30-28-34)49-52-50(56-42-23-11-7-19-37(42)38-20-8-12-24-43(38)56)54-51(53-49)57-44-25-13-9-21-39(44)40-31-32-46-47(48(40)57)41-22-10-14-26-45(41)55(46)36-17-5-2-6-18-36/h1-32H.
What are the key properties of 12-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole?
12-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole has a molecular weight of 728.86 g/mol, XLogP of 12.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 158439679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).