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

C104H69N7 — CID 158389049

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

9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;3,6-diphenyl-9-triphenylen-2-ylcarbazole;9-[4-(5-phenylpyrimidin-2-yl)phenyl]carbazole (PubChem CID 158389049) has the molecular formula C104H69N7 and a molecular weight of 1416.74 g/mol. Its IUPAC name is 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;3,6-diphenyl-9-triphenylen-2-ylcarbazole;9-[4-(5-phenylpyrimidin-2-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;3,6-diphenyl-9-triphenylen-2-ylcarbazole;9-[4-(5-phenylpyrimidin-2-yl)phenyl]carbazole
• PubChem CID: 158389049
• Molecular Formula: C104H69N7
• Molecular Weight: 1416.74 g/mol
• Exact Mass: 1415.56
• IUPAC Name: 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;3,6-diphenyl-9-triphenylen-2-ylcarbazole;9-[4-(5-phenylpyrimidin-2-yl)phenyl]carbazole
• SMILES: c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c4ccccc4c4ccccc4c3c2)cc1.c1ccc(-c2cnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2)cc1
• InChI: InChI=1S/C42H27N.C34H23N3.C28H19N3/c1-3-11-28(12-4-1)30-19-23-41-39(25-30)40-26-31(29-13-5-2-6-14-29)20-24-42(40)43(41)32-21-22-37-35-17-8-7-15-33(35)34-16-9-10-18-36(34)38(37)27-32;1-3-11-24(12-4-1)30-23-31(36-34(35-30)26-13-5-2-6-14-26)25-19-21-27(22-20-25)37-32-17-9-7-15-28(32)29-16-8-10-18-33(29)37;1-2-8-20(9-3-1)22-18-29-28(30-19-22)21-14-16-23(17-15-21)31-26-12-6-4-10-24(26)25-11-5-7-13-27(25)31/h1-27H;1-23H;1-19H
• InChIKey: GWSJOBBILUTSBY-UHFFFAOYSA-N
• XLogP: 27.06
• TPSA: 66.35 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1416.74
LogP ≤ 5	27.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;3,6-diphenyl-9-triphenylen-2-ylcarbazole;9-[4-(5-phenylpyrimidin-2-yl)phenyl]carbazole?

The IUPAC name of 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;3,6-diphenyl-9-triphenylen-2-ylcarbazole;9-[4-(5-phenylpyrimidin-2-yl)phenyl]carbazole (CID 158389049) is 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;3,6-diphenyl-9-triphenylen-2-ylcarbazole;9-[4-(5-phenylpyrimidin-2-yl)phenyl]carbazole.

What is the SMILES notation for 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;3,6-diphenyl-9-triphenylen-2-ylcarbazole;9-[4-(5-phenylpyrimidin-2-yl)phenyl]carbazole?

The canonical SMILES for 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;3,6-diphenyl-9-triphenylen-2-ylcarbazole;9-[4-(5-phenylpyrimidin-2-yl)phenyl]carbazole is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c4ccccc4c4ccccc4c3c2)cc1.c1ccc(-c2cnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2)cc1.

What is the InChIKey of 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;3,6-diphenyl-9-triphenylen-2-ylcarbazole;9-[4-(5-phenylpyrimidin-2-yl)phenyl]carbazole?

The InChIKey is GWSJOBBILUTSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N.C34H23N3.C28H19N3/c1-3-11-28(12-4-1)30-19-23-41-39(25-30)40-26-31(29-13-5-2-6-14-29)20-24-42(40)43(41)32-21-22-37-35-17-8-7-15-33(35)34-16-9-10-18-36(34)38(37)27-32;1-3-11-24(12-4-1)30-23-31(36-34(35-30)26-13-5-2-6-14-26)25-19-21-27(22-20-25)37-32-17-9-7-15-28(32)29-16-8-10-18-33(29)37;1-2-8-20(9-3-1)22-18-29-28(30-19-22)21-14-16-23(17-15-21)31-26-12-6-4-10-24(26)25-11-5-7-13-27(25)31/h1-27H;1-23H;1-19H.

What are the key properties of 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;3,6-diphenyl-9-triphenylen-2-ylcarbazole;9-[4-(5-phenylpyrimidin-2-yl)phenyl]carbazole?

9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;3,6-diphenyl-9-triphenylen-2-ylcarbazole;9-[4-(5-phenylpyrimidin-2-yl)phenyl]carbazole has a molecular weight of 1416.74 g/mol, XLogP of 27.06, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;3,6-diphenyl-9-triphenylen-2-ylcarbazole;9-[4-(5-phenylpyrimidin-2-yl)phenyl]carbazole is sourced from PubChem (CID 158389049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).