5-[2-[4-[4-(9,9-dimethylfluoren-4-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole

C53H36N6 — CID 176634805

About 5-[2-[4-[4-(9,9-dimethylfluoren-4-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole

5-[2-[4-[4-(9,9-dimethylfluoren-4-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole (PubChem CID 176634805) has the molecular formula C53H36N6 and a molecular weight of 756.91 g/mol. Its IUPAC name is 5-[2-[4-[4-(9,9-dimethylfluoren-4-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 5-[2-[4-[4-(9,9-dimethylfluoren-4-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole
• PubChem CID: 176634805
• Molecular Formula: C53H36N6
• Molecular Weight: 756.91 g/mol
• Exact Mass: 756.30
• IUPAC Name: 5-[2-[4-[4-(9,9-dimethylfluoren-4-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole
• SMILES: CC1(C)c2ccccc2-c2c(-c3cccc4c3c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4-n4c5ccccc5c5cnccc54)n3)cccc21
• InChI: InChI=1S/C53H36N6/c1-53(2)41-24-10-6-19-37(41)48-35(22-14-25-42(48)53)36-23-15-29-47-49(36)38-20-8-12-27-44(38)59(47)52-56-50(33-16-4-3-5-17-33)55-51(57-52)39-21-9-13-28-45(39)58-43-26-11-7-18-34(43)40-32-54-31-30-46(40)58/h3-32H,1-2H3
• InChIKey: BEUVENKTDHXJSH-UHFFFAOYSA-N
• XLogP: 12.77
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.91
LogP ≤ 5	12.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[4-(9,9-dimethylfluoren-4-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole?

The IUPAC name of 5-[2-[4-[4-(9,9-dimethylfluoren-4-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole (CID 176634805) is 5-[2-[4-[4-(9,9-dimethylfluoren-4-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole.

What is the SMILES notation for 5-[2-[4-[4-(9,9-dimethylfluoren-4-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole?

The canonical SMILES for 5-[2-[4-[4-(9,9-dimethylfluoren-4-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole is CC1(C)c2ccccc2-c2c(-c3cccc4c3c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4-n4c5ccccc5c5cnccc54)n3)cccc21.

What is the InChIKey of 5-[2-[4-[4-(9,9-dimethylfluoren-4-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole?

The InChIKey is BEUVENKTDHXJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N6/c1-53(2)41-24-10-6-19-37(41)48-35(22-14-25-42(48)53)36-23-15-29-47-49(36)38-20-8-12-27-44(38)59(47)52-56-50(33-16-4-3-5-17-33)55-51(57-52)39-21-9-13-28-45(39)58-43-26-11-7-18-34(43)40-32-54-31-30-46(40)58/h3-32H,1-2H3.

What are the key properties of 5-[2-[4-[4-(9,9-dimethylfluoren-4-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole?

5-[2-[4-[4-(9,9-dimethylfluoren-4-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole has a molecular weight of 756.91 g/mol, XLogP of 12.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[4-[4-(9,9-dimethylfluoren-4-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 176634805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).