9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole

C50H32N6 — CID 129221681

About 9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole

9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole (PubChem CID 129221681) has the molecular formula C50H32N6 and a molecular weight of 716.85 g/mol. Its IUPAC name is 9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole.

Molecular Properties

• Compound Name: 9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole
• PubChem CID: 129221681
• Molecular Formula: C50H32N6
• Molecular Weight: 716.85 g/mol
• Exact Mass: 716.27
• IUPAC Name: 9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole
• SMILES: c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4cccnc4n5-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)cc32)cc1
• InChI: InChI=1S/C50H32N6/c1-2-11-37(12-3-1)55-47-17-5-4-13-39(47)40-24-20-35(32-49(40)55)34-21-25-48-42(29-34)41-14-10-28-53-50(41)56(48)38-22-18-33(19-23-38)36-30-45(43-15-6-8-26-51-43)54-46(31-36)44-16-7-9-27-52-44/h1-32H
• InChIKey: JWTLJYVNLLSZGG-UHFFFAOYSA-N
• XLogP: 12.13
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.85
LogP ≤ 5	12.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole?

The IUPAC name of 9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole (CID 129221681) is 9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole.

What is the SMILES notation for 9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole?

The canonical SMILES for 9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole is c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4cccnc4n5-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)cc32)cc1.

What is the InChIKey of 9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole?

The InChIKey is JWTLJYVNLLSZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N6/c1-2-11-37(12-3-1)55-47-17-5-4-13-39(47)40-24-20-35(32-49(40)55)34-21-25-48-42(29-34)41-14-10-28-53-50(41)56(48)38-22-18-33(19-23-38)36-30-45(43-15-6-8-26-51-43)54-46(31-36)44-16-7-9-27-52-44/h1-32H.

What are the key properties of 9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole?

9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole has a molecular weight of 716.85 g/mol, XLogP of 12.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole is sourced from PubChem (CID 129221681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).