3-methyl-9-[4-[2,5,6-tris[4-(3-methylcarbazol-9-yl)phenyl]-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]phenyl]carbazole

C92H64N6 — CID 151514025

About 3-methyl-9-[4-[2,5,6-tris[4-(3-methylcarbazol-9-yl)phenyl]-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]phenyl]carbazole

3-methyl-9-[4-[2,5,6-tris[4-(3-methylcarbazol-9-yl)phenyl]-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]phenyl]carbazole (PubChem CID 151514025) has the molecular formula C92H64N6 and a molecular weight of 1253.57 g/mol. Its IUPAC name is 3-methyl-9-[4-[2,5,6-tris[4-(3-methylcarbazol-9-yl)phenyl]-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-methyl-9-[4-[2,5,6-tris[4-(3-methylcarbazol-9-yl)phenyl]-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]phenyl]carbazole
• PubChem CID: 151514025
• Molecular Formula: C92H64N6
• Molecular Weight: 1253.57 g/mol
• Exact Mass: 1252.52
• IUPAC Name: 3-methyl-9-[4-[2,5,6-tris[4-(3-methylcarbazol-9-yl)phenyl]-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]phenyl]carbazole
• SMILES: Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(C)ccc54)cc3)c(-c3ccc(-n4c5ccccc5c5cc(C)ccc54)cc3)c(-c3ccccc3-c3ccncc3)c2-c2ccc(-n3c4ccccc4c4cc(C)ccc43)cc2)cc1
• InChI: InChI=1S/C92H64N6/c1-57-25-45-84-76(53-57)71-16-7-11-21-80(71)95(84)66-37-29-62(30-38-66)88-90(75-20-6-5-15-70(75)61-49-51-93-52-50-61)89(63-31-39-67(40-32-63)96-81-22-12-8-17-72(81)77-54-58(2)26-46-85(77)96)92(65-35-43-69(44-36-65)98-83-24-14-10-19-74(83)79-56-60(4)28-48-87(79)98)94-91(88)64-33-41-68(42-34-64)97-82-23-13-9-18-73(82)78-55-59(3)27-47-86(78)97/h5-56H,1-4H3
• InChIKey: PTBRIVWYLPRKSB-UHFFFAOYSA-N
• XLogP: 24.10
• TPSA: 45.50 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1253.57
LogP ≤ 5	24.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-[4-[2,5,6-tris[4-(3-methylcarbazol-9-yl)phenyl]-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]phenyl]carbazole?

The IUPAC name of 3-methyl-9-[4-[2,5,6-tris[4-(3-methylcarbazol-9-yl)phenyl]-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]phenyl]carbazole (CID 151514025) is 3-methyl-9-[4-[2,5,6-tris[4-(3-methylcarbazol-9-yl)phenyl]-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]phenyl]carbazole.

What is the SMILES notation for 3-methyl-9-[4-[2,5,6-tris[4-(3-methylcarbazol-9-yl)phenyl]-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]phenyl]carbazole?

The canonical SMILES for 3-methyl-9-[4-[2,5,6-tris[4-(3-methylcarbazol-9-yl)phenyl]-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]phenyl]carbazole is Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(C)ccc54)cc3)c(-c3ccc(-n4c5ccccc5c5cc(C)ccc54)cc3)c(-c3ccccc3-c3ccncc3)c2-c2ccc(-n3c4ccccc4c4cc(C)ccc43)cc2)cc1.

What is the InChIKey of 3-methyl-9-[4-[2,5,6-tris[4-(3-methylcarbazol-9-yl)phenyl]-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]phenyl]carbazole?

The InChIKey is PTBRIVWYLPRKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H64N6/c1-57-25-45-84-76(53-57)71-16-7-11-21-80(71)95(84)66-37-29-62(30-38-66)88-90(75-20-6-5-15-70(75)61-49-51-93-52-50-61)89(63-31-39-67(40-32-63)96-81-22-12-8-17-72(81)77-54-58(2)26-46-85(77)96)92(65-35-43-69(44-36-65)98-83-24-14-10-19-74(83)79-56-60(4)28-48-87(79)98)94-91(88)64-33-41-68(42-34-64)97-82-23-13-9-18-73(82)78-55-59(3)27-47-86(78)97/h5-56H,1-4H3.

What are the key properties of 3-methyl-9-[4-[2,5,6-tris[4-(3-methylcarbazol-9-yl)phenyl]-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]phenyl]carbazole?

3-methyl-9-[4-[2,5,6-tris[4-(3-methylcarbazol-9-yl)phenyl]-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]phenyl]carbazole has a molecular weight of 1253.57 g/mol, XLogP of 24.10, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-9-[4-[2,5,6-tris[4-(3-methylcarbazol-9-yl)phenyl]-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]phenyl]carbazole is sourced from PubChem (CID 151514025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).