2-chloro-9,9-diphenylindeno[2,1-d]pyrimidine;2,4-diphenyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-diphenylindeno[2,1-d]pyrimidine

C102H74BClN10O2 — CID 162246972

About 2-chloro-9,9-diphenylindeno[2,1-d]pyrimidine;2,4-diphenyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-diphenylindeno[2,1-d]pyrimidine

2-chloro-9,9-diphenylindeno[2,1-d]pyrimidine;2,4-diphenyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-diphenylindeno[2,1-d]pyrimidine (PubChem CID 162246972) has the molecular formula C102H74BClN10O2 and a molecular weight of 1518.05 g/mol. Its IUPAC name is 2-chloro-9,9-diphenylindeno[2,1-d]pyrimidine;2,4-diphenyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-diphenylindeno[2,1-d]pyrimidine.

Molecular Properties

• Compound Name: 2-chloro-9,9-diphenylindeno[2,1-d]pyrimidine;2,4-diphenyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-diphenylindeno[2,1-d]pyrimidine
• PubChem CID: 162246972
• Molecular Formula: C102H74BClN10O2
• Molecular Weight: 1518.05 g/mol
• Exact Mass: 1516.58
• IUPAC Name: 2-chloro-9,9-diphenylindeno[2,1-d]pyrimidine;2,4-diphenyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-diphenylindeno[2,1-d]pyrimidine
• SMILES: CC1(C)OB(c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c2)OC1(C)C.Clc1ncc2c(n1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5ncc6c(n5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)ccc4c3)n2)cc1
• InChI: InChI=1S/C48H31N5.C31H28BN3O2.C23H15ClN2/c1-5-15-32(16-6-1)45-51-46(33-17-7-2-8-18-33)53-47(52-45)37-28-26-34-29-36(27-25-35(34)30-37)44-49-31-41-40-23-13-14-24-42(40)48(43(41)50-44,38-19-9-3-10-20-38)39-21-11-4-12-22-39;1-30(2)31(3,4)37-32(36-30)26-18-17-23-19-25(16-15-24(23)20-26)29-34-27(21-11-7-5-8-12-21)33-28(35-29)22-13-9-6-10-14-22;24-22-25-15-19-18-13-7-8-14-20(18)23(21(19)26-22,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-31H;5-20H,1-4H3;1-15H
• InChIKey: ZXLUUHXNHMFUPJ-UHFFFAOYSA-N
• XLogP: 22.66
• TPSA: 147.36 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1518.05
LogP ≤ 5	22.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9,9-diphenylindeno[2,1-d]pyrimidine;2,4-diphenyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-diphenylindeno[2,1-d]pyrimidine?

The IUPAC name of 2-chloro-9,9-diphenylindeno[2,1-d]pyrimidine;2,4-diphenyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-diphenylindeno[2,1-d]pyrimidine (CID 162246972) is 2-chloro-9,9-diphenylindeno[2,1-d]pyrimidine;2,4-diphenyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-diphenylindeno[2,1-d]pyrimidine.

What is the SMILES notation for 2-chloro-9,9-diphenylindeno[2,1-d]pyrimidine;2,4-diphenyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-diphenylindeno[2,1-d]pyrimidine?

The canonical SMILES for 2-chloro-9,9-diphenylindeno[2,1-d]pyrimidine;2,4-diphenyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-diphenylindeno[2,1-d]pyrimidine is CC1(C)OB(c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c2)OC1(C)C.Clc1ncc2c(n1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5ncc6c(n5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)ccc4c3)n2)cc1.

What is the InChIKey of 2-chloro-9,9-diphenylindeno[2,1-d]pyrimidine;2,4-diphenyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-diphenylindeno[2,1-d]pyrimidine?

The InChIKey is ZXLUUHXNHMFUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N5.C31H28BN3O2.C23H15ClN2/c1-5-15-32(16-6-1)45-51-46(33-17-7-2-8-18-33)53-47(52-45)37-28-26-34-29-36(27-25-35(34)30-37)44-49-31-41-40-23-13-14-24-42(40)48(43(41)50-44,38-19-9-3-10-20-38)39-21-11-4-12-22-39;1-30(2)31(3,4)37-32(36-30)26-18-17-23-19-25(16-15-24(23)20-26)29-34-27(21-11-7-5-8-12-21)33-28(35-29)22-13-9-6-10-14-22;24-22-25-15-19-18-13-7-8-14-20(18)23(21(19)26-22,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-31H;5-20H,1-4H3;1-15H.

What are the key properties of 2-chloro-9,9-diphenylindeno[2,1-d]pyrimidine;2,4-diphenyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-diphenylindeno[2,1-d]pyrimidine?

2-chloro-9,9-diphenylindeno[2,1-d]pyrimidine;2,4-diphenyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-diphenylindeno[2,1-d]pyrimidine has a molecular weight of 1518.05 g/mol, XLogP of 22.66, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-9,9-diphenylindeno[2,1-d]pyrimidine;2,4-diphenyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-diphenylindeno[2,1-d]pyrimidine is sourced from PubChem (CID 162246972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).