9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole

C98H64N12 — CID 163788873

IUPAC9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7ccccc76)n5)cc4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3)cc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/2C49H32N6/c1-4-15-34(16-5-1)46-50-42(32-45(51-46)55-43-25-12-10-23-40(43)41-24-11-13-26-44(41)55)39-22-14-21-38(31-39)33-27-29-37(30-28-33)49-53-47(35-17-6-2-7-18-35)52-48(54-49)36-19-8-3-9-20-36;1-4-15-34(16-5-1)42-32-43(51-46(50-42)35-17-6-2-7-18-35)39-22-14-21-38(31-39)33-27-29-37(30-28-33)48-52-47(36-19-8-3-9-20-36)53-49(54-48)55-44-25-12-10-23-40(44)41-24-11-13-26-45(41)55/h2*1-32H
InChIKeyMUYGTNVARBNDLT-UHFFFAOYSA-N
MW1409.67 g/mol
LogP23.52
Rot. Bonds14

About 9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole

9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole (PubChem CID 163788873) has the molecular formula C98H64N12 and a molecular weight of 1409.67 g/mol. Its IUPAC name is 9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole.

Molecular Properties

Compound Name9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole
PubChem CID163788873
Molecular FormulaC98H64N12
Molecular Weight1409.67 g/mol
Exact Mass1408.54
IUPAC Name9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7ccccc76)n5)cc4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3)cc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/2C49H32N6/c1-4-15-34(16-5-1)46-50-42(32-45(51-46)55-43-25-12-10-23-40(43)41-24-11-13-26-44(41)55)39-22-14-21-38(31-39)33-27-29-37(30-28-33)49-53-47(35-17-6-2-7-18-35)52-48(54-49)36-19-8-3-9-20-36;1-4-15-34(16-5-1)42-32-43(51-46(50-42)35-17-6-2-7-18-35)39-22-14-21-38(31-39)33-27-29-37(30-28-33)48-52-47(36-19-8-3-9-20-36)53-49(54-48)55-44-25-12-10-23-40(44)41-24-11-13-26-45(41)55/h2*1-32H
InChIKeyMUYGTNVARBNDLT-UHFFFAOYSA-N
XLogP23.52
TPSA138.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001409.67
LogP ≤ 523.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole with MolForge

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Related Compounds

3-[9-[2-phenyl-6-[3-[4-[4-[3-[6-phenyl-2-[3-[9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]carbazol-3-yl]-9-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole
CID 137445193
9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]carbazole;9-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole
CID 160561828
9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-3-[9-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]carbazol-3-yl]carbazole
CID 126700362
9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491413
9-[2-carbazol-9-yl-6-[3-[3-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-phenylphenyl]phenyl]pyrimidin-4-yl]carbazole
CID 58943440
9-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 176831267
9-[3-[4-[2-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 159741626
9-[3-[4-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazole;9-[3-[2-[3-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]phenyl]carbazole;9-[3-[4-[3-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 161143543
9-[6-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]pyrimidin-4-yl]-3-[3-[2-(4,6-diphenylpyrimidin-2-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole
CID 146379780
9-[4-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 163590019
3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 146572869
9-[2-carbazol-9-yl-6-[4-[3-[4-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(4-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]carbazole
CID 58943683

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole?
The IUPAC name of 9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole (CID 163788873) is 9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole.
What is the SMILES notation for 9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole?
The canonical SMILES for 9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole is c1ccc(-c2cc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7ccccc76)n5)cc4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3)cc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole?
The InChIKey is MUYGTNVARBNDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C49H32N6/c1-4-15-34(16-5-1)46-50-42(32-45(51-46)55-43-25-12-10-23-40(43)41-24-11-13-26-44(41)55)39-22-14-21-38(31-39)33-27-29-37(30-28-33)49-53-47(35-17-6-2-7-18-35)52-48(54-49)36-19-8-3-9-20-36;1-4-15-34(16-5-1)42-32-43(51-46(50-42)35-17-6-2-7-18-35)39-22-14-21-38(31-39)33-27-29-37(30-28-33)48-52-47(36-19-8-3-9-20-36)53-49(54-48)55-44-25-12-10-23-40(44)41-24-11-13-26-45(41)55/h2*1-32H.
What are the key properties of 9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole?
9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole has a molecular weight of 1409.67 g/mol, XLogP of 23.52, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole is sourced from PubChem (CID 163788873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).