12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylquinazolin-6-yl]-11-phenylindolo[2,3-a]carbazole

C53H33N7 — CID 166922707

IUPAC12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylquinazolin-6-yl]-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-c4ccccc4)nc4ccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)cc34)n2)cc1
InChIInChI=1S/C53H33N7/c1-5-17-34(18-6-1)50-54-44-32-29-38(33-43(44)47(55-50)53-57-51(35-19-7-2-8-20-35)56-52(58-53)36-21-9-3-10-22-36)60-46-28-16-14-26-40(46)42-31-30-41-39-25-13-15-27-45(39)59(48(41)49(42)60)37-23-11-4-12-24-37/h1-33H
InChIKeyHJTNPWVXVPLRBR-UHFFFAOYSA-N
MW767.90 g/mol
LogP12.68
Rot. Bonds6

About 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylquinazolin-6-yl]-11-phenylindolo[2,3-a]carbazole

12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylquinazolin-6-yl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 166922707) has the molecular formula C53H33N7 and a molecular weight of 767.90 g/mol. Its IUPAC name is 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylquinazolin-6-yl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylquinazolin-6-yl]-11-phenylindolo[2,3-a]carbazole
PubChem CID166922707
Molecular FormulaC53H33N7
Molecular Weight767.90 g/mol
Exact Mass767.28
IUPAC Name12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylquinazolin-6-yl]-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-c4ccccc4)nc4ccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)cc34)n2)cc1
InChIInChI=1S/C53H33N7/c1-5-17-34(18-6-1)50-54-44-32-29-38(33-43(44)47(55-50)53-57-51(35-19-7-2-8-20-35)56-52(58-53)36-21-9-3-10-22-36)60-46-28-16-14-26-40(46)42-31-30-41-39-25-13-15-27-45(39)59(48(41)49(42)60)37-23-11-4-12-24-37/h1-33H
InChIKeyHJTNPWVXVPLRBR-UHFFFAOYSA-N
XLogP12.68
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.90
LogP ≤ 512.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

12-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole
CID 146506989
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-11-phenylindolo[2,3-a]carbazole
CID 168729522
11-(2,4-diphenylquinazolin-6-yl)-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene
CID 154952405
11-(4-phenylphenyl)-12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 162362852
11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 67701976
12-dibenzofuran-2-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 139497007
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
2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145158976
12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 156556541
11-phenyl-12-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169014169
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 158055885
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;ethane
CID 160718098

Frequently Asked Questions

What is the IUPAC name of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylquinazolin-6-yl]-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylquinazolin-6-yl]-11-phenylindolo[2,3-a]carbazole (CID 166922707) is 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylquinazolin-6-yl]-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylquinazolin-6-yl]-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylquinazolin-6-yl]-11-phenylindolo[2,3-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-c4ccccc4)nc4ccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)cc34)n2)cc1.
What is the InChIKey of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylquinazolin-6-yl]-11-phenylindolo[2,3-a]carbazole?
The InChIKey is HJTNPWVXVPLRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N7/c1-5-17-34(18-6-1)50-54-44-32-29-38(33-43(44)47(55-50)53-57-51(35-19-7-2-8-20-35)56-52(58-53)36-21-9-3-10-22-36)60-46-28-16-14-26-40(46)42-31-30-41-39-25-13-15-27-45(39)59(48(41)49(42)60)37-23-11-4-12-24-37/h1-33H.
What are the key properties of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylquinazolin-6-yl]-11-phenylindolo[2,3-a]carbazole?
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylquinazolin-6-yl]-11-phenylindolo[2,3-a]carbazole has a molecular weight of 767.90 g/mol, XLogP of 12.68, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylquinazolin-6-yl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 166922707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).