N-[3-[5-[2-[3,5-bis[2-[6-(3-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]-N,6-diphenylpyridin-2-amine

C75H54N6 — CID 156674183

About N-[3-[5-[2-[3,5-bis[2-[6-(3-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]-N,6-diphenylpyridin-2-amine

N-[3-[5-[2-[3,5-bis[2-[6-(3-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]-N,6-diphenylpyridin-2-amine (PubChem CID 156674183) has the molecular formula C75H54N6 and a molecular weight of 1039.30 g/mol. Its IUPAC name is N-[3-[5-[2-[3,5-bis[2-[6-(3-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]-N,6-diphenylpyridin-2-amine.

Molecular Properties

• Compound Name: N-[3-[5-[2-[3,5-bis[2-[6-(3-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]-N,6-diphenylpyridin-2-amine
• PubChem CID: 156674183
• Molecular Formula: C75H54N6
• Molecular Weight: 1039.30 g/mol
• Exact Mass: 1038.44
• IUPAC Name: N-[3-[5-[2-[3,5-bis[2-[6-(3-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]-N,6-diphenylpyridin-2-amine
• SMILES: Cc1cccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cccc(C)c5)nc4)cc(-c4ccccc4-c4cnc(-c5cccc(N(c6ccccc6)c6cccc(-c7ccccc7)n6)c5)nc4)c3)cn2)c1
• InChI: InChI=1S/C75H54N6/c1-51-19-15-23-54(41-51)71-39-37-57(47-76-71)65-29-9-11-31-67(65)59-43-60(68-32-12-10-30-66(68)58-38-40-72(77-48-58)55-24-16-20-52(2)42-55)45-61(44-59)69-33-13-14-34-70(69)62-49-78-75(79-50-62)56-25-17-28-64(46-56)81(63-26-7-4-8-27-63)74-36-18-35-73(80-74)53-21-5-3-6-22-53/h3-50H,1-2H3
• InChIKey: LPXXGWAFWGOQAT-UHFFFAOYSA-N
• XLogP: 19.42
• TPSA: 67.69 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1039.30
LogP ≤ 5	19.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[2-[3,5-bis[2-[6-(3-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]-N,6-diphenylpyridin-2-amine?

The IUPAC name of N-[3-[5-[2-[3,5-bis[2-[6-(3-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]-N,6-diphenylpyridin-2-amine (CID 156674183) is N-[3-[5-[2-[3,5-bis[2-[6-(3-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]-N,6-diphenylpyridin-2-amine.

What is the SMILES notation for N-[3-[5-[2-[3,5-bis[2-[6-(3-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]-N,6-diphenylpyridin-2-amine?

The canonical SMILES for N-[3-[5-[2-[3,5-bis[2-[6-(3-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]-N,6-diphenylpyridin-2-amine is Cc1cccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cccc(C)c5)nc4)cc(-c4ccccc4-c4cnc(-c5cccc(N(c6ccccc6)c6cccc(-c7ccccc7)n6)c5)nc4)c3)cn2)c1.

What is the InChIKey of N-[3-[5-[2-[3,5-bis[2-[6-(3-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]-N,6-diphenylpyridin-2-amine?

The InChIKey is LPXXGWAFWGOQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H54N6/c1-51-19-15-23-54(41-51)71-39-37-57(47-76-71)65-29-9-11-31-67(65)59-43-60(68-32-12-10-30-66(68)58-38-40-72(77-48-58)55-24-16-20-52(2)42-55)45-61(44-59)69-33-13-14-34-70(69)62-49-78-75(79-50-62)56-25-17-28-64(46-56)81(63-26-7-4-8-27-63)74-36-18-35-73(80-74)53-21-5-3-6-22-53/h3-50H,1-2H3.

What are the key properties of N-[3-[5-[2-[3,5-bis[2-[6-(3-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]-N,6-diphenylpyridin-2-amine?

N-[3-[5-[2-[3,5-bis[2-[6-(3-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]-N,6-diphenylpyridin-2-amine has a molecular weight of 1039.30 g/mol, XLogP of 19.42, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-[2-[3,5-bis[2-[6-(3-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]-N,6-diphenylpyridin-2-amine is sourced from PubChem (CID 156674183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).