12-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-8-yl]-11-phenylindolo[2,3-a]carbazole

C53H33N7 — CID 166922700

IUPAC12-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-8-yl]-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ncc5cccc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)c5n4)c3)n2)cc1
InChIInChI=1S/C53H33N7/c1-4-16-34(17-5-1)51-56-52(35-18-6-2-7-19-35)58-53(57-51)37-21-14-20-36(32-37)50-54-33-38-22-15-29-46(47(38)55-50)60-45-28-13-11-26-41(45)43-31-30-42-40-25-10-12-27-44(40)59(48(42)49(43)60)39-23-8-3-9-24-39/h1-33H
InChIKeyCNYQDPPAZNMOPK-UHFFFAOYSA-N
MW767.90 g/mol
LogP12.68
Rot. Bonds6

About 12-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-8-yl]-11-phenylindolo[2,3-a]carbazole

12-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-8-yl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 166922700) has the molecular formula C53H33N7 and a molecular weight of 767.90 g/mol. Its IUPAC name is 12-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-8-yl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-8-yl]-11-phenylindolo[2,3-a]carbazole
PubChem CID166922700
Molecular FormulaC53H33N7
Molecular Weight767.90 g/mol
Exact Mass767.28
IUPAC Name12-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-8-yl]-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ncc5cccc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)c5n4)c3)n2)cc1
InChIInChI=1S/C53H33N7/c1-4-16-34(17-5-1)51-56-52(35-18-6-2-7-19-35)58-53(57-51)37-21-14-20-36(32-37)50-54-33-38-22-15-29-46(47(38)55-50)60-45-28-13-11-26-41(45)43-31-30-42-40-25-10-12-27-44(40)59(48(42)49(43)60)39-23-8-3-9-24-39/h1-33H
InChIKeyCNYQDPPAZNMOPK-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

11-phenyl-12-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169014169
11-(4-phenylphenyl)-12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 162362852
1-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 121459383
1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
CID 168807703
6,31-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene
CID 88949841
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 161432881
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 169037529
12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169037027
12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169037526
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
1-(9-phenylcarbazol-1-yl)-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155305816
10-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 171591828

Frequently Asked Questions

What is the IUPAC name of 12-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-8-yl]-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-8-yl]-11-phenylindolo[2,3-a]carbazole (CID 166922700) is 12-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-8-yl]-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-8-yl]-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-8-yl]-11-phenylindolo[2,3-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ncc5cccc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)c5n4)c3)n2)cc1.
What is the InChIKey of 12-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-8-yl]-11-phenylindolo[2,3-a]carbazole?
The InChIKey is CNYQDPPAZNMOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N7/c1-4-16-34(17-5-1)51-56-52(35-18-6-2-7-19-35)58-53(57-51)37-21-14-20-36(32-37)50-54-33-38-22-15-29-46(47(38)55-50)60-45-28-13-11-26-41(45)43-31-30-42-40-25-10-12-27-44(40)59(48(42)49(43)60)39-23-8-3-9-24-39/h1-33H.
What are the key properties of 12-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-8-yl]-11-phenylindolo[2,3-a]carbazole?
12-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-8-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-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-8-yl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 166922700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).