11,11-dimethyl-10-[4-[4-(4-pyrimidin-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]indeno[1,2-b]quinoline

C48H33N3 — CID 139567240

About 11,11-dimethyl-10-[4-[4-(4-pyrimidin-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]indeno[1,2-b]quinoline

11,11-dimethyl-10-[4-[4-(4-pyrimidin-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]indeno[1,2-b]quinoline (PubChem CID 139567240) has the molecular formula C48H33N3 and a molecular weight of 651.81 g/mol. Its IUPAC name is 11,11-dimethyl-10-[4-[4-(4-pyrimidin-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]indeno[1,2-b]quinoline.

Molecular Properties

• Compound Name: 11,11-dimethyl-10-[4-[4-(4-pyrimidin-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]indeno[1,2-b]quinoline
• PubChem CID: 139567240
• Molecular Formula: C48H33N3
• Molecular Weight: 651.81 g/mol
• Exact Mass: 651.27
• IUPAC Name: 11,11-dimethyl-10-[4-[4-(4-pyrimidin-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]indeno[1,2-b]quinoline
• SMILES: CC1(C)c2ccccc2-c2nc3ccccc3c(-c3ccc(-c4ccc(-c5ccc(-c6ncccn6)c6ccccc56)c5ccccc45)cc3)c21
• InChI: InChI=1S/C48H33N3/c1-48(2)42-18-9-7-16-40(42)46-45(48)44(41-17-8-10-19-43(41)51-46)31-22-20-30(21-23-31)32-24-25-37(34-13-4-3-12-33(32)34)38-26-27-39(47-49-28-11-29-50-47)36-15-6-5-14-35(36)38/h3-29H,1-2H3
• InChIKey: IZVJBQBSDOQSCK-UHFFFAOYSA-N
• XLogP: 12.31
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.81
LogP ≤ 5	12.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-10-[4-[4-(4-pyrimidin-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]indeno[1,2-b]quinoline?

The IUPAC name of 11,11-dimethyl-10-[4-[4-(4-pyrimidin-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]indeno[1,2-b]quinoline (CID 139567240) is 11,11-dimethyl-10-[4-[4-(4-pyrimidin-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]indeno[1,2-b]quinoline.

What is the SMILES notation for 11,11-dimethyl-10-[4-[4-(4-pyrimidin-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]indeno[1,2-b]quinoline?

The canonical SMILES for 11,11-dimethyl-10-[4-[4-(4-pyrimidin-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]indeno[1,2-b]quinoline is CC1(C)c2ccccc2-c2nc3ccccc3c(-c3ccc(-c4ccc(-c5ccc(-c6ncccn6)c6ccccc56)c5ccccc45)cc3)c21.

What is the InChIKey of 11,11-dimethyl-10-[4-[4-(4-pyrimidin-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]indeno[1,2-b]quinoline?

The InChIKey is IZVJBQBSDOQSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3/c1-48(2)42-18-9-7-16-40(42)46-45(48)44(41-17-8-10-19-43(41)51-46)31-22-20-30(21-23-31)32-24-25-37(34-13-4-3-12-33(32)34)38-26-27-39(47-49-28-11-29-50-47)36-15-6-5-14-35(36)38/h3-29H,1-2H3.

What are the key properties of 11,11-dimethyl-10-[4-[4-(4-pyrimidin-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]indeno[1,2-b]quinoline?

11,11-dimethyl-10-[4-[4-(4-pyrimidin-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]indeno[1,2-b]quinoline has a molecular weight of 651.81 g/mol, XLogP of 12.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 11,11-dimethyl-10-[4-[4-(4-pyrimidin-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]indeno[1,2-b]quinoline is sourced from PubChem (CID 139567240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).