2-(10,10-dimethyl-12H-indeno[2,3-b]fluoren-12-yl)-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine

C73H51N3 — CID 126632871

About 2-(10,10-dimethyl-12H-indeno[2,3-b]fluoren-12-yl)-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine

2-(10,10-dimethyl-12H-indeno[2,3-b]fluoren-12-yl)-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 126632871) has the molecular formula C73H51N3 and a molecular weight of 970.23 g/mol. Its IUPAC name is 2-(10,10-dimethyl-12H-indeno[2,3-b]fluoren-12-yl)-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(10,10-dimethyl-12H-indeno[2,3-b]fluoren-12-yl)-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine
• PubChem CID: 126632871
• Molecular Formula: C73H51N3
• Molecular Weight: 970.23 g/mol
• Exact Mass: 969.41
• IUPAC Name: 2-(10,10-dimethyl-12H-indeno[2,3-b]fluoren-12-yl)-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2cc3c(cc21)C(c1nc(-c2cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c2)nc(-c2cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c2)n1)c1ccccc1-3
• InChI: InChI=1S/C73H51N3/c1-73(2)67-36-18-17-34-62(67)65-45-64-61-33-15-16-35-63(61)69(66(64)46-68(65)73)72-75-70(53-31-19-29-51(37-53)59-41-55(47-21-7-3-8-22-47)39-56(42-59)48-23-9-4-10-24-48)74-71(76-72)54-32-20-30-52(38-54)60-43-57(49-25-11-5-12-26-49)40-58(44-60)50-27-13-6-14-28-50/h3-46,69H,1-2H3
• InChIKey: VPPKZVPRDOCOSC-UHFFFAOYSA-N
• XLogP: 18.67
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	970.23
LogP ≤ 5	18.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(10,10-dimethyl-12H-indeno[2,3-b]fluoren-12-yl)-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine?

The IUPAC name of 2-(10,10-dimethyl-12H-indeno[2,3-b]fluoren-12-yl)-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine (CID 126632871) is 2-(10,10-dimethyl-12H-indeno[2,3-b]fluoren-12-yl)-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine.

What is the SMILES notation for 2-(10,10-dimethyl-12H-indeno[2,3-b]fluoren-12-yl)-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine?

The canonical SMILES for 2-(10,10-dimethyl-12H-indeno[2,3-b]fluoren-12-yl)-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine is CC1(C)c2ccccc2-c2cc3c(cc21)C(c1nc(-c2cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c2)nc(-c2cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c2)n1)c1ccccc1-3.

What is the InChIKey of 2-(10,10-dimethyl-12H-indeno[2,3-b]fluoren-12-yl)-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine?

The InChIKey is VPPKZVPRDOCOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H51N3/c1-73(2)67-36-18-17-34-62(67)65-45-64-61-33-15-16-35-63(61)69(66(64)46-68(65)73)72-75-70(53-31-19-29-51(37-53)59-41-55(47-21-7-3-8-22-47)39-56(42-59)48-23-9-4-10-24-48)74-71(76-72)54-32-20-30-52(38-54)60-43-57(49-25-11-5-12-26-49)40-58(44-60)50-27-13-6-14-28-50/h3-46,69H,1-2H3.

What are the key properties of 2-(10,10-dimethyl-12H-indeno[2,3-b]fluoren-12-yl)-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine?

2-(10,10-dimethyl-12H-indeno[2,3-b]fluoren-12-yl)-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 970.23 g/mol, XLogP of 18.67, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(10,10-dimethyl-12H-indeno[2,3-b]fluoren-12-yl)-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 126632871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).