2-[9-[2-(2,6-diphenylpyrimidin-4-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole

C149H95N19 — CID 160742717

IUPAC2-[9-[2-(2,6-diphenylpyrimidin-4-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ncc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cn3)n2)cc1.c1ccc(-c2cc(-c3ncc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cn3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ncc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cn3)n2)cc1
InChIInChI=1S/2C50H32N6.C49H31N7/c1-4-14-33(15-5-1)43-30-44(54-49(53-43)34-16-6-2-7-17-34)50-51-31-38(32-52-50)56-46-23-13-11-21-40(46)42-28-35(25-27-47(42)56)36-24-26-41-39-20-10-12-22-45(39)55(48(41)29-36)37-18-8-3-9-19-37;1-4-14-33(15-5-1)43-30-44(34-16-6-2-7-17-34)54-50(53-43)49-51-31-38(32-52-49)56-46-23-13-11-21-40(46)42-28-35(25-27-47(42)56)36-24-26-41-39-20-10-12-22-45(39)55(48(41)29-36)37-18-8-3-9-19-37;1-4-14-32(15-5-1)46-52-47(33-16-6-2-7-17-33)54-49(53-46)48-50-30-37(31-51-48)56-43-23-13-11-21-39(43)41-28-34(25-27-44(41)56)35-24-26-40-38-20-10-12-22-42(38)55(45(40)29-35)36-18-8-3-9-19-36/h2*1-32H;1-31H
InChIKeyRVUHGRAWQHKCSZ-UHFFFAOYSA-N
MW2151.53 g/mol
LogP35.78
Rot. Bonds18

About 2-[9-[2-(2,6-diphenylpyrimidin-4-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole

2-[9-[2-(2,6-diphenylpyrimidin-4-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 160742717) has the molecular formula C149H95N19 and a molecular weight of 2151.53 g/mol. Its IUPAC name is 2-[9-[2-(2,6-diphenylpyrimidin-4-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[9-[2-(2,6-diphenylpyrimidin-4-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID160742717
Molecular FormulaC149H95N19
Molecular Weight2151.53 g/mol
Exact Mass2149.80
IUPAC Name2-[9-[2-(2,6-diphenylpyrimidin-4-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ncc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cn3)n2)cc1.c1ccc(-c2cc(-c3ncc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cn3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ncc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cn3)n2)cc1
InChIInChI=1S/2C50H32N6.C49H31N7/c1-4-14-33(15-5-1)43-30-44(54-49(53-43)34-16-6-2-7-17-34)50-51-31-38(32-52-50)56-46-23-13-11-21-40(46)42-28-35(25-27-47(42)56)36-24-26-41-39-20-10-12-22-45(39)55(48(41)29-36)37-18-8-3-9-19-37;1-4-14-33(15-5-1)43-30-44(34-16-6-2-7-17-34)54-50(53-43)49-51-31-38(32-52-49)56-46-23-13-11-21-40(46)42-28-35(25-27-47(42)56)36-24-26-41-39-20-10-12-22-45(39)55(48(41)29-36)37-18-8-3-9-19-37;1-4-14-32(15-5-1)46-52-47(33-16-6-2-7-17-33)54-49(53-46)48-50-30-37(31-51-48)56-43-23-13-11-21-39(43)41-28-34(25-27-44(41)56)35-24-26-40-38-20-10-12-22-42(38)55(45(40)29-35)36-18-8-3-9-19-36/h2*1-32H;1-31H
InChIKeyRVUHGRAWQHKCSZ-UHFFFAOYSA-N
XLogP35.78
TPSA197.15 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms168
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002151.53
LogP ≤ 535.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 2-[9-[2-(2,6-diphenylpyrimidin-4-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[9-[2-(2,6-diphenylpyrimidin-4-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 2-[9-[2-(2,6-diphenylpyrimidin-4-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole (CID 160742717) is 2-[9-[2-(2,6-diphenylpyrimidin-4-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[9-[2-(2,6-diphenylpyrimidin-4-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[9-[2-(2,6-diphenylpyrimidin-4-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3ncc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cn3)n2)cc1.c1ccc(-c2cc(-c3ncc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cn3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ncc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cn3)n2)cc1.
What is the InChIKey of 2-[9-[2-(2,6-diphenylpyrimidin-4-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is RVUHGRAWQHKCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H32N6.C49H31N7/c1-4-14-33(15-5-1)43-30-44(54-49(53-43)34-16-6-2-7-17-34)50-51-31-38(32-52-50)56-46-23-13-11-21-40(46)42-28-35(25-27-47(42)56)36-24-26-41-39-20-10-12-22-45(39)55(48(41)29-36)37-18-8-3-9-19-37;1-4-14-33(15-5-1)43-30-44(34-16-6-2-7-17-34)54-50(53-43)49-51-31-38(32-52-49)56-46-23-13-11-21-40(46)42-28-35(25-27-47(42)56)36-24-26-41-39-20-10-12-22-45(39)55(48(41)29-36)37-18-8-3-9-19-37;1-4-14-32(15-5-1)46-52-47(33-16-6-2-7-17-33)54-49(53-46)48-50-30-37(31-51-48)56-43-23-13-11-21-39(43)41-28-34(25-27-44(41)56)35-24-26-40-38-20-10-12-22-42(38)55(45(40)29-35)36-18-8-3-9-19-36/h2*1-32H;1-31H.
What are the key properties of 2-[9-[2-(2,6-diphenylpyrimidin-4-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole?
2-[9-[2-(2,6-diphenylpyrimidin-4-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 2151.53 g/mol, XLogP of 35.78, 18 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[2-(2,6-diphenylpyrimidin-4-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 160742717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).