bis(2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine);bis(2-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine)

C192H136N8 — CID 158861729

About bis(2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine);bis(2-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine)

bis(2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine);bis(2-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine) (PubChem CID 158861729) has the molecular formula C192H136N8 and a molecular weight of 2555.26 g/mol. Its IUPAC name is bis(2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine);bis(2-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine).

Molecular Properties

• Compound Name: bis(2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine);bis(2-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine)
• PubChem CID: 158861729
• Molecular Formula: C192H136N8
• Molecular Weight: 2555.26 g/mol
• Exact Mass: 2553.09
• IUPAC Name: bis(2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine);bis(2-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine)
• SMILES: CC1(C)c2ccccc2-c2c(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)cc3)cccc21.CC1(C)c2ccccc2-c2c(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)cc3)cccc21.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c3)n2)cc1
• InChI: InChI=1S/2C53H36N2.2C43H32N2/c2*1-5-17-39(18-6-1)49-36-50(40-19-7-2-8-20-40)55-52(54-49)42-22-15-21-41(35-42)37-31-33-38(34-32-37)45-28-16-30-48-51(45)46-27-13-14-29-47(46)53(48,43-23-9-3-10-24-43)44-25-11-4-12-26-44;2*1-43(2)37-21-10-9-19-36(37)41-35(20-12-22-38(41)43)30-25-23-29(24-26-30)33-17-11-18-34(27-33)42-44-39(31-13-5-3-6-14-31)28-40(45-42)32-15-7-4-8-16-32/h2*1-36H;2*3-28H,1-2H3
• InChIKey: JASYPAVGDYUXCO-UHFFFAOYSA-N
• XLogP: 48.59
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 24
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2555.26
LogP ≤ 5	48.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of bis(2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine);bis(2-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine)?

The IUPAC name of bis(2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine);bis(2-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine) (CID 158861729) is bis(2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine);bis(2-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine).

What is the SMILES notation for bis(2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine);bis(2-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine)?

The canonical SMILES for bis(2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine);bis(2-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine) is CC1(C)c2ccccc2-c2c(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)cc3)cccc21.CC1(C)c2ccccc2-c2c(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)cc3)cccc21.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c3)n2)cc1.

What is the InChIKey of bis(2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine);bis(2-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine)?

The InChIKey is JASYPAVGDYUXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C53H36N2.2C43H32N2/c2*1-5-17-39(18-6-1)49-36-50(40-19-7-2-8-20-40)55-52(54-49)42-22-15-21-41(35-42)37-31-33-38(34-32-37)45-28-16-30-48-51(45)46-27-13-14-29-47(46)53(48,43-23-9-3-10-24-43)44-25-11-4-12-26-44;2*1-43(2)37-21-10-9-19-36(37)41-35(20-12-22-38(41)43)30-25-23-29(24-26-30)33-17-11-18-34(27-33)42-44-39(31-13-5-3-6-14-31)28-40(45-42)32-15-7-4-8-16-32/h2*1-36H;2*3-28H,1-2H3.

What are the key properties of bis(2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine);bis(2-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine)?

bis(2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine);bis(2-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine) has a molecular weight of 2555.26 g/mol, XLogP of 48.59, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine);bis(2-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine) is sourced from PubChem (CID 158861729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).