9-[2-[3-[4,6-diphenyl-5-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]phenyl]-4,6-diphenylpyrimidin-5-yl]-3-phenylcarbazole

C74H48N6 — CID 137368922

About 9-[2-[3-[4,6-diphenyl-5-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]phenyl]-4,6-diphenylpyrimidin-5-yl]-3-phenylcarbazole

9-[2-[3-[4,6-diphenyl-5-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]phenyl]-4,6-diphenylpyrimidin-5-yl]-3-phenylcarbazole (PubChem CID 137368922) has the molecular formula C74H48N6 and a molecular weight of 1021.24 g/mol. Its IUPAC name is 9-[2-[3-[4,6-diphenyl-5-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]phenyl]-4,6-diphenylpyrimidin-5-yl]-3-phenylcarbazole.

Molecular Properties

• Compound Name: 9-[2-[3-[4,6-diphenyl-5-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]phenyl]-4,6-diphenylpyrimidin-5-yl]-3-phenylcarbazole
• PubChem CID: 137368922
• Molecular Formula: C74H48N6
• Molecular Weight: 1021.24 g/mol
• Exact Mass: 1020.39
• IUPAC Name: 9-[2-[3-[4,6-diphenyl-5-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]phenyl]-4,6-diphenylpyrimidin-5-yl]-3-phenylcarbazole
• SMILES: c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3)nc(-c3cccc(-c4nc(-c5ccccc5)c(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)c(-c5ccccc5)n4)c3)nc2-c2ccccc2)cc1
• InChI: InChI=1S/C74H48N6/c1-7-24-49(25-8-1)55-42-44-65-61(47-55)59-38-19-21-40-63(59)79(65)71-67(51-28-11-3-12-29-51)75-73(76-68(71)52-30-13-4-14-31-52)57-36-23-37-58(46-57)74-77-69(53-32-15-5-16-33-53)72(70(78-74)54-34-17-6-18-35-54)80-64-41-22-20-39-60(64)62-48-56(43-45-66(62)80)50-26-9-2-10-27-50/h1-48H
• InChIKey: IMXAXCPEHIWALV-UHFFFAOYSA-N
• XLogP: 18.80
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1021.24
LogP ≤ 5	18.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3-[4,6-diphenyl-5-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]phenyl]-4,6-diphenylpyrimidin-5-yl]-3-phenylcarbazole?

The IUPAC name of 9-[2-[3-[4,6-diphenyl-5-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]phenyl]-4,6-diphenylpyrimidin-5-yl]-3-phenylcarbazole (CID 137368922) is 9-[2-[3-[4,6-diphenyl-5-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]phenyl]-4,6-diphenylpyrimidin-5-yl]-3-phenylcarbazole.

What is the SMILES notation for 9-[2-[3-[4,6-diphenyl-5-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]phenyl]-4,6-diphenylpyrimidin-5-yl]-3-phenylcarbazole?

The canonical SMILES for 9-[2-[3-[4,6-diphenyl-5-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]phenyl]-4,6-diphenylpyrimidin-5-yl]-3-phenylcarbazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3)nc(-c3cccc(-c4nc(-c5ccccc5)c(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)c(-c5ccccc5)n4)c3)nc2-c2ccccc2)cc1.

What is the InChIKey of 9-[2-[3-[4,6-diphenyl-5-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]phenyl]-4,6-diphenylpyrimidin-5-yl]-3-phenylcarbazole?

The InChIKey is IMXAXCPEHIWALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H48N6/c1-7-24-49(25-8-1)55-42-44-65-61(47-55)59-38-19-21-40-63(59)79(65)71-67(51-28-11-3-12-29-51)75-73(76-68(71)52-30-13-4-14-31-52)57-36-23-37-58(46-57)74-77-69(53-32-15-5-16-33-53)72(70(78-74)54-34-17-6-18-35-54)80-64-41-22-20-39-60(64)62-48-56(43-45-66(62)80)50-26-9-2-10-27-50/h1-48H.

What are the key properties of 9-[2-[3-[4,6-diphenyl-5-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]phenyl]-4,6-diphenylpyrimidin-5-yl]-3-phenylcarbazole?

9-[2-[3-[4,6-diphenyl-5-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]phenyl]-4,6-diphenylpyrimidin-5-yl]-3-phenylcarbazole has a molecular weight of 1021.24 g/mol, XLogP of 18.80, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[3-[4,6-diphenyl-5-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]phenyl]-4,6-diphenylpyrimidin-5-yl]-3-phenylcarbazole is sourced from PubChem (CID 137368922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).