10,10-dimethyl-2-(3-phenylphenyl)-4-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indeno[1,2-g]quinoline

C58H41N3 — CID 146595217

About 10,10-dimethyl-2-(3-phenylphenyl)-4-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indeno[1,2-g]quinoline

10,10-dimethyl-2-(3-phenylphenyl)-4-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indeno[1,2-g]quinoline (PubChem CID 146595217) has the molecular formula C58H41N3 and a molecular weight of 779.99 g/mol. Its IUPAC name is 10,10-dimethyl-2-(3-phenylphenyl)-4-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indeno[1,2-g]quinoline.

Molecular Properties

• Compound Name: 10,10-dimethyl-2-(3-phenylphenyl)-4-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indeno[1,2-g]quinoline
• PubChem CID: 146595217
• Molecular Formula: C58H41N3
• Molecular Weight: 779.99 g/mol
• Exact Mass: 779.33
• IUPAC Name: 10,10-dimethyl-2-(3-phenylphenyl)-4-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indeno[1,2-g]quinoline
• SMILES: CC1(C)c2ccccc2-c2cc3c(-c4cccc(-c5nc(-c6ccccc6)cc(-c6cccc(-c7ccccc7)c6)n5)c4)cc(-c4cccc(-c5ccccc5)c4)nc3cc21
• InChI: InChI=1S/C58H41N3/c1-58(2)51-30-13-12-29-47(51)49-34-50-48(35-53(59-56(50)36-52(49)58)44-26-14-23-41(31-44)38-17-6-3-7-18-38)43-25-16-28-46(33-43)57-60-54(40-21-10-5-11-22-40)37-55(61-57)45-27-15-24-42(32-45)39-19-8-4-9-20-39/h3-37H,1-2H3
• InChIKey: GHTQASKGSOUCER-UHFFFAOYSA-N
• XLogP: 15.00
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.99
LogP ≤ 5	15.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-2-(3-phenylphenyl)-4-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indeno[1,2-g]quinoline?

The IUPAC name of 10,10-dimethyl-2-(3-phenylphenyl)-4-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indeno[1,2-g]quinoline (CID 146595217) is 10,10-dimethyl-2-(3-phenylphenyl)-4-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indeno[1,2-g]quinoline.

What is the SMILES notation for 10,10-dimethyl-2-(3-phenylphenyl)-4-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indeno[1,2-g]quinoline?

The canonical SMILES for 10,10-dimethyl-2-(3-phenylphenyl)-4-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indeno[1,2-g]quinoline is CC1(C)c2ccccc2-c2cc3c(-c4cccc(-c5nc(-c6ccccc6)cc(-c6cccc(-c7ccccc7)c6)n5)c4)cc(-c4cccc(-c5ccccc5)c4)nc3cc21.

What is the InChIKey of 10,10-dimethyl-2-(3-phenylphenyl)-4-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indeno[1,2-g]quinoline?

The InChIKey is GHTQASKGSOUCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N3/c1-58(2)51-30-13-12-29-47(51)49-34-50-48(35-53(59-56(50)36-52(49)58)44-26-14-23-41(31-44)38-17-6-3-7-18-38)43-25-16-28-46(33-43)57-60-54(40-21-10-5-11-22-40)37-55(61-57)45-27-15-24-42(32-45)39-19-8-4-9-20-39/h3-37H,1-2H3.

What are the key properties of 10,10-dimethyl-2-(3-phenylphenyl)-4-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indeno[1,2-g]quinoline?

10,10-dimethyl-2-(3-phenylphenyl)-4-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indeno[1,2-g]quinoline has a molecular weight of 779.99 g/mol, XLogP of 15.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10-dimethyl-2-(3-phenylphenyl)-4-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indeno[1,2-g]quinoline is sourced from PubChem (CID 146595217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).