11,12-diphenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole

C51H33N5 — CID 170255530

IUPAC11,12-diphenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5c(-c6ccccc6)c6c(cc54)c4ccccc4n6-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C51H33N5/c1-5-17-34(18-6-1)35-29-31-38(32-30-35)50-52-49(37-21-9-3-10-22-37)53-51(54-50)56-44-28-16-14-26-41(44)47-45(56)33-42-40-25-13-15-27-43(40)55(39-23-11-4-12-24-39)48(42)46(47)36-19-7-2-8-20-36/h1-33H
InChIKeyCDCTWCFHVFRGQY-UHFFFAOYSA-N
MW715.86 g/mol
LogP12.73
Rot. Bonds6

About 11,12-diphenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole

11,12-diphenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole (PubChem CID 170255530) has the molecular formula C51H33N5 and a molecular weight of 715.86 g/mol. Its IUPAC name is 11,12-diphenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole.

Molecular Properties

Compound Name11,12-diphenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
PubChem CID170255530
Molecular FormulaC51H33N5
Molecular Weight715.86 g/mol
Exact Mass715.27
IUPAC Name11,12-diphenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5c(-c6ccccc6)c6c(cc54)c4ccccc4n6-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C51H33N5/c1-5-17-34(18-6-1)35-29-31-38(32-30-35)50-52-49(37-21-9-3-10-22-37)53-51(54-50)56-44-28-16-14-26-41(44)47-45(56)33-42-40-25-13-15-27-43(40)55(39-23-11-4-12-24-39)48(42)46(47)36-19-7-2-8-20-36/h1-33H
InChIKeyCDCTWCFHVFRGQY-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

11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5,12-diphenylindolo[3,2-b]carbazole
CID 170255532
12-carbazol-9-yl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 168729598
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7,12-diphenylindolo[2,3-b]carbazole
CID 170255499
5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164799969
5,6,11-triphenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255301
5,12-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 168727741
11-[4-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
CID 169014141
5,12-diphenyl-11-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 165031430
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-bromo-11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255683
6-carbazol-9-yl-5-phenyl-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 168729529
5,11-diphenyl-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255259

Frequently Asked Questions

What is the IUPAC name of 11,12-diphenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole?
The IUPAC name of 11,12-diphenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole (CID 170255530) is 11,12-diphenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole.
What is the SMILES notation for 11,12-diphenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole?
The canonical SMILES for 11,12-diphenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5c(-c6ccccc6)c6c(cc54)c4ccccc4n6-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 11,12-diphenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole?
The InChIKey is CDCTWCFHVFRGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5/c1-5-17-34(18-6-1)35-29-31-38(32-30-35)50-52-49(37-21-9-3-10-22-37)53-51(54-50)56-44-28-16-14-26-41(44)47-45(56)33-42-40-25-13-15-27-43(40)55(39-23-11-4-12-24-39)48(42)46(47)36-19-7-2-8-20-36/h1-33H.
What are the key properties of 11,12-diphenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole?
11,12-diphenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]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 11,12-diphenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole is sourced from PubChem (CID 170255530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).