5-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole

C44H30N6 — CID 144943204

IUPAC5-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)n3)=N2)cc1
InChIInChI=1S/C44H30N6/c1-4-15-29(16-5-1)42-46-43(30-17-6-2-7-18-30)48-44(47-42)36-23-14-26-41(45-36)50-38-25-13-11-22-33(38)35-27-34-32-21-10-12-24-37(32)49(39(34)28-40(35)50)31-19-8-3-9-20-31/h1-28,42H,(H,46,47,48)
InChIKeyMNFXHVURKKPNEW-UHFFFAOYSA-N
MW642.77 g/mol
LogP9.77
Rot. Bonds5

About 5-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole

5-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 144943204) has the molecular formula C44H30N6 and a molecular weight of 642.77 g/mol. Its IUPAC name is 5-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole
PubChem CID144943204
Molecular FormulaC44H30N6
Molecular Weight642.77 g/mol
Exact Mass642.25
IUPAC Name5-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)n3)=N2)cc1
InChIInChI=1S/C44H30N6/c1-4-15-29(16-5-1)42-46-43(30-17-6-2-7-18-30)48-44(47-42)36-23-14-26-41(45-36)50-38-25-13-11-22-33(38)35-27-34-32-21-10-12-24-37(32)49(39(34)28-40(35)50)31-19-8-3-9-20-31/h1-28,42H,(H,46,47,48)
InChIKeyMNFXHVURKKPNEW-UHFFFAOYSA-N
XLogP9.77
TPSA59.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.77
LogP ≤ 59.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 136619917
25-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-15-phenyl-11-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 145268764
9-[3-carbazol-9-yl-5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 137220453
11-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole
CID 137067046
5-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole
CID 167200347
5-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole
CID 166668347
5-phenyl-11-(6-phenyl-2-pyridinyl)indolo[3,2-b]carbazole
CID 58570053
2-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)triphenylen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole
CID 163568782
11-[5-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-5-naphthalen-2-ylindolo[3,2-b]carbazole
CID 145190373
7-phenyl-5-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole
CID 146337552
11-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole
CID 137220455
12-phenyl-16-[3-[4-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 137246423

Frequently Asked Questions

What is the IUPAC name of 5-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole (CID 144943204) is 5-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole is c1ccc(C2=NC(c3ccccc3)NC(c3cccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)n3)=N2)cc1.
What is the InChIKey of 5-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole?
The InChIKey is MNFXHVURKKPNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N6/c1-4-15-29(16-5-1)42-46-43(30-17-6-2-7-18-30)48-44(47-42)36-23-14-26-41(45-36)50-38-25-13-11-22-33(38)35-27-34-32-21-10-12-24-37(32)49(39(34)28-40(35)50)31-19-8-3-9-20-31/h1-28,42H,(H,46,47,48).
What are the key properties of 5-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole?
5-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 642.77 g/mol, XLogP of 9.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 144943204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).