7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole

C61H39N7 — CID 169037159

About 7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole

7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole (PubChem CID 169037159) has the molecular formula C61H39N7 and a molecular weight of 870.03 g/mol. Its IUPAC name is 7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
• PubChem CID: 169037159
• Molecular Formula: C61H39N7
• Molecular Weight: 870.03 g/mol
• Exact Mass: 869.33
• IUPAC Name: 7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccccc8-c8ccccc8)n7)c6cc54)cc3)n2)cc1
• InChI: InChI=1S/C61H39N7/c1-5-19-40(20-6-1)46-27-13-14-30-49(46)60-64-59(43-25-11-4-12-26-43)65-61(66-60)68-55-32-18-16-29-48(55)51-37-50-47-28-15-17-31-54(47)67(56(50)39-57(51)68)45-35-33-44(34-36-45)58-62-52(41-21-7-2-8-22-41)38-53(63-58)42-23-9-3-10-24-42/h1-39H
• InChIKey: DLQARPAHXRTORC-UHFFFAOYSA-N
• XLogP: 14.86
• TPSA: 74.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	870.03
LogP ≤ 5	14.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole?

The IUPAC name of 7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole (CID 169037159) is 7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole.

What is the SMILES notation for 7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole?

The canonical SMILES for 7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccccc8-c8ccccc8)n7)c6cc54)cc3)n2)cc1.

What is the InChIKey of 7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole?

The InChIKey is DLQARPAHXRTORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N7/c1-5-19-40(20-6-1)46-27-13-14-30-49(46)60-64-59(43-25-11-4-12-26-43)65-61(66-60)68-55-32-18-16-29-48(55)51-37-50-47-28-15-17-31-54(47)67(56(50)39-57(51)68)45-35-33-44(34-36-45)58-62-52(41-21-7-2-8-22-41)38-53(63-58)42-23-9-3-10-24-42/h1-39H.

What are the key properties of 7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole?

7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole has a molecular weight of 870.03 g/mol, XLogP of 14.86, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole is sourced from PubChem (CID 169037159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).