2-(3-chlorophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine;10-[3-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole

C78H51ClN14 — CID 157372311

IUPAC2-(3-chlorophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine;10-[3-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole
SMILESClc1cccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)c1.c1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4cccc(-c5nc(-c6ccccn6)nc(-c6ccccn6)n5)c4)c23)cc1.c1ccc(-n2ccc3c4[nH]c5ccccc5c4ccc32)cc1
InChIInChI=1S/C39H25N7.C20H14N2.C19H12ClN5/c1-2-12-27(13-3-1)45-24-21-31-34(45)20-19-30-29-15-4-5-18-35(29)46(36(30)31)28-14-10-11-26(25-28)37-42-38(32-16-6-8-22-40-32)44-39(43-37)33-17-7-9-23-41-33;1-2-6-14(7-3-1)22-13-12-17-19(22)11-10-16-15-8-4-5-9-18(15)21-20(16)17;20-14-7-5-6-13(12-14)17-23-18(15-8-1-3-10-21-15)25-19(24-17)16-9-2-4-11-22-16/h1-25H;1-13,21H;1-12H
InChIKeyBJXIMBOLRQMHQO-UHFFFAOYSA-N
MW1219.82 g/mol
LogP18.28
Rot. Bonds9

About 2-(3-chlorophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine;10-[3-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole

2-(3-chlorophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine;10-[3-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole (PubChem CID 157372311) has the molecular formula C78H51ClN14 and a molecular weight of 1219.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine;10-[3-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine;10-[3-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole
PubChem CID157372311
Molecular FormulaC78H51ClN14
Molecular Weight1219.82 g/mol
Exact Mass1218.41
IUPAC Name2-(3-chlorophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine;10-[3-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole
SMILESClc1cccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)c1.c1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4cccc(-c5nc(-c6ccccn6)nc(-c6ccccn6)n5)c4)c23)cc1.c1ccc(-n2ccc3c4[nH]c5ccccc5c4ccc32)cc1
InChIInChI=1S/C39H25N7.C20H14N2.C19H12ClN5/c1-2-12-27(13-3-1)45-24-21-31-34(45)20-19-30-29-15-4-5-18-35(29)46(36(30)31)28-14-10-11-26(25-28)37-42-38(32-16-6-8-22-40-32)44-39(43-37)33-17-7-9-23-41-33;1-2-6-14(7-3-1)22-13-12-17-19(22)11-10-16-15-8-4-5-9-18(15)21-20(16)17;20-14-7-5-6-13(12-14)17-23-18(15-8-1-3-10-21-15)25-19(24-17)16-9-2-4-11-22-16/h1-25H;1-13,21H;1-12H
InChIKeyBJXIMBOLRQMHQO-UHFFFAOYSA-N
XLogP18.28
TPSA159.48 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001219.82
LogP ≤ 518.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 2-(3-chlorophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine;10-[3-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole with MolForge

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Related Compounds

9-[5-(3-cyanophenyl)-3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-6-[5-[9-[5-(3-cyanophenyl)-3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazol-3-yl]pyrimidin-2-yl]-N'-ethenylcarbazole-3-carboximidamide
CID 146237981
9-[5-(2,6-Difluorophenyl)-3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-[2-[9-[5-(2,6-difluorophenyl)-3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-6-pyrimidin-2-ylcarbazol-3-yl]pyrimidin-5-yl]-2,7-di(pyrimidin-2-yl)carbazole
CID 156315660
9-[2,4-Di(carbazol-9-yl)-5-[3,6-di(pyrimidin-5-yl)carbazol-9-yl]-6-pyridin-4-yl-3-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-5-yl)carbazole
CID 156352035
9-[2,4-Di(carbazol-9-yl)-5-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-6-pyridin-4-yl-3-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole
CID 156352036
9-[2,4-Di(carbazol-9-yl)-5-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-6-phenyl-3-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole
CID 156352062
9-[2,4-Di(carbazol-9-yl)-5-[3,6-di(pyrimidin-5-yl)carbazol-9-yl]-3-fluoro-6-pyridin-4-ylphenyl]-3,6-di(pyrimidin-5-yl)carbazole
CID 156352069
9-[2,4-Di(carbazol-9-yl)-5-[3,6-di(pyrimidin-5-yl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-5-yl)carbazole
CID 156352071
9-[2-Tert-butyl-4,6-di(carbazol-9-yl)-3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-fluorophenyl]-3,6-di(pyrimidin-2-yl)carbazole
CID 156352075
9-[2,4-Di(carbazol-9-yl)-5-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-6-methyl-3-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole
CID 156352089
3,6-Di(pyrimidin-2-yl)-9-[2,4,6-tri(carbazol-9-yl)-3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]carbazole
CID 156352099
9-[2,4-Di(carbazol-9-yl)-5-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-3-fluoro-6-pyridin-4-ylphenyl]-3,6-di(pyrimidin-2-yl)carbazole
CID 156352101
9-[2,4-Di(carbazol-9-yl)-5-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-3-fluoro-6-methylphenyl]-3,6-di(pyrimidin-2-yl)carbazole
CID 156352107

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine;10-[3-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole?
The IUPAC name of 2-(3-chlorophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine;10-[3-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole (CID 157372311) is 2-(3-chlorophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine;10-[3-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole.
What is the SMILES notation for 2-(3-chlorophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine;10-[3-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole?
The canonical SMILES for 2-(3-chlorophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine;10-[3-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole is Clc1cccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)c1.c1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4cccc(-c5nc(-c6ccccn6)nc(-c6ccccn6)n5)c4)c23)cc1.c1ccc(-n2ccc3c4[nH]c5ccccc5c4ccc32)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine;10-[3-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole?
The InChIKey is BJXIMBOLRQMHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N7.C20H14N2.C19H12ClN5/c1-2-12-27(13-3-1)45-24-21-31-34(45)20-19-30-29-15-4-5-18-35(29)46(36(30)31)28-14-10-11-26(25-28)37-42-38(32-16-6-8-22-40-32)44-39(43-37)33-17-7-9-23-41-33;1-2-6-14(7-3-1)22-13-12-17-19(22)11-10-16-15-8-4-5-9-18(15)21-20(16)17;20-14-7-5-6-13(12-14)17-23-18(15-8-1-3-10-21-15)25-19(24-17)16-9-2-4-11-22-16/h1-25H;1-13,21H;1-12H.
What are the key properties of 2-(3-chlorophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine;10-[3-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole?
2-(3-chlorophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine;10-[3-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole has a molecular weight of 1219.82 g/mol, XLogP of 18.28, 9 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine;10-[3-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole;3-phenyl-10H-pyrrolo[3,2-a]carbazole is sourced from PubChem (CID 157372311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).