2-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(9,9-dimethylfluoren-2-yl)-1,3,5-triazine

C74H55N5 — CID 154614257

About 2-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(9,9-dimethylfluoren-2-yl)-1,3,5-triazine

2-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(9,9-dimethylfluoren-2-yl)-1,3,5-triazine (PubChem CID 154614257) has the molecular formula C74H55N5 and a molecular weight of 1014.29 g/mol. Its IUPAC name is 2-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(9,9-dimethylfluoren-2-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(9,9-dimethylfluoren-2-yl)-1,3,5-triazine
• PubChem CID: 154614257
• Molecular Formula: C74H55N5
• Molecular Weight: 1014.29 g/mol
• Exact Mass: 1013.45
• IUPAC Name: 2-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(9,9-dimethylfluoren-2-yl)-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc(-c5cccc(-c6cc(-c7ccc8c(c7)C(C)(C)c7cc9ccccc9cc7-8)nc(-c7ccccc7)n6)c5)c4)nc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)n3)cc21
• InChI: InChI=1S/C74H55N5/c1-72(2)60-28-14-12-26-54(60)56-34-31-52(41-63(56)72)70-77-69(78-71(79-70)53-32-35-57-55-27-13-15-29-61(55)73(3,4)64(57)42-53)51-25-17-23-46(37-51)45-22-16-24-49(36-45)66-43-67(76-68(75-66)44-18-8-7-9-19-44)50-30-33-58-59-38-47-20-10-11-21-48(47)39-65(59)74(5,6)62(58)40-50/h7-43H,1-6H3
• InChIKey: MRVNRIGMBMCCSV-UHFFFAOYSA-N
• XLogP: 18.40
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1014.29
LogP ≤ 5	18.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(9,9-dimethylfluoren-2-yl)-1,3,5-triazine?

The IUPAC name of 2-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(9,9-dimethylfluoren-2-yl)-1,3,5-triazine (CID 154614257) is 2-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(9,9-dimethylfluoren-2-yl)-1,3,5-triazine.

What is the SMILES notation for 2-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(9,9-dimethylfluoren-2-yl)-1,3,5-triazine?

The canonical SMILES for 2-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(9,9-dimethylfluoren-2-yl)-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc(-c5cccc(-c6cc(-c7ccc8c(c7)C(C)(C)c7cc9ccccc9cc7-8)nc(-c7ccccc7)n6)c5)c4)nc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)n3)cc21.

What is the InChIKey of 2-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(9,9-dimethylfluoren-2-yl)-1,3,5-triazine?

The InChIKey is MRVNRIGMBMCCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H55N5/c1-72(2)60-28-14-12-26-54(60)56-34-31-52(41-63(56)72)70-77-69(78-71(79-70)53-32-35-57-55-27-13-15-29-61(55)73(3,4)64(57)42-53)51-25-17-23-46(37-51)45-22-16-24-49(36-45)66-43-67(76-68(75-66)44-18-8-7-9-19-44)50-30-33-58-59-38-47-20-10-11-21-48(47)39-65(59)74(5,6)62(58)40-50/h7-43H,1-6H3.

What are the key properties of 2-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(9,9-dimethylfluoren-2-yl)-1,3,5-triazine?

2-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(9,9-dimethylfluoren-2-yl)-1,3,5-triazine has a molecular weight of 1014.29 g/mol, XLogP of 18.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(9,9-dimethylfluoren-2-yl)-1,3,5-triazine is sourced from PubChem (CID 154614257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).