12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,7-diphenylindolo[3,2-a]carbazole

C51H33N5 — CID 126628134

IUPAC12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,7-diphenylindolo[3,2-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-c6ccccc6)cc6c(c7ccccc7n6-c6ccccc6)c54)cc3)n2)cc1
InChIInChI=1S/C51H33N5/c1-5-17-34(18-6-1)42-33-45-47(41-26-14-15-27-43(41)55(45)38-23-11-4-12-24-38)48-46(42)40-25-13-16-28-44(40)56(48)39-31-29-37(30-32-39)51-53-49(35-19-7-2-8-20-35)52-50(54-51)36-21-9-3-10-22-36/h1-33H
InChIKeyFEMSBZLXCRDYSN-UHFFFAOYSA-N
MW715.86 g/mol
LogP12.73
Rot. Bonds6

About 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,7-diphenylindolo[3,2-a]carbazole

12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,7-diphenylindolo[3,2-a]carbazole (PubChem CID 126628134) has the molecular formula C51H33N5 and a molecular weight of 715.86 g/mol. Its IUPAC name is 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,7-diphenylindolo[3,2-a]carbazole.

Molecular Properties

Compound Name12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,7-diphenylindolo[3,2-a]carbazole
PubChem CID126628134
Molecular FormulaC51H33N5
Molecular Weight715.86 g/mol
Exact Mass715.27
IUPAC Name12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,7-diphenylindolo[3,2-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-c6ccccc6)cc6c(c7ccccc7n6-c6ccccc6)c54)cc3)n2)cc1
InChIInChI=1S/C51H33N5/c1-5-17-34(18-6-1)42-33-45-47(41-26-14-15-27-43(41)55(45)38-23-11-4-12-24-38)48-46(42)40-25-13-16-28-44(40)56(48)39-31-29-37(30-32-39)51-53-49(35-19-7-2-8-20-35)52-50(54-51)36-21-9-3-10-22-36/h1-33H
InChIKeyFEMSBZLXCRDYSN-UHFFFAOYSA-N
XLogP12.73
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.86
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-5,7-diphenylindolo[3,2-a]carbazole
CID 138649778
12-phenyl-7-(3-phenylphenyl)-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole
CID 164799980
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 135227760
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-naphthalen-2-yl-5-phenylindolo[3,2-a]carbazole
CID 142314945
9,18,27-tris[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 135227811
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 118502129
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170255512
1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole
CID 134598241
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 170255379
25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,26-diphenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
CID 160587571
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,18,27-triphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,21,23,25-dodecaene
CID 163546560
4-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
CID 146648753

Frequently Asked Questions

What is the IUPAC name of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,7-diphenylindolo[3,2-a]carbazole?
The IUPAC name of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,7-diphenylindolo[3,2-a]carbazole (CID 126628134) is 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,7-diphenylindolo[3,2-a]carbazole.
What is the SMILES notation for 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,7-diphenylindolo[3,2-a]carbazole?
The canonical SMILES for 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,7-diphenylindolo[3,2-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-c6ccccc6)cc6c(c7ccccc7n6-c6ccccc6)c54)cc3)n2)cc1.
What is the InChIKey of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,7-diphenylindolo[3,2-a]carbazole?
The InChIKey is FEMSBZLXCRDYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5/c1-5-17-34(18-6-1)42-33-45-47(41-26-14-15-27-43(41)55(45)38-23-11-4-12-24-38)48-46(42)40-25-13-16-28-44(40)56(48)39-31-29-37(30-32-39)51-53-49(35-19-7-2-8-20-35)52-50(54-51)36-21-9-3-10-22-36/h1-33H.
What are the key properties of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,7-diphenylindolo[3,2-a]carbazole?
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,7-diphenylindolo[3,2-a]carbazole has a molecular weight of 715.86 g/mol, XLogP of 12.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,7-diphenylindolo[3,2-a]carbazole is sourced from PubChem (CID 126628134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).