bis(2',7'-dimethyl-6'-(4-methyl-2-pyridinyl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);2',7'-dimethyl-6'-pyridin-2-ylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-(4-ethyl-2-pyridinyl)-2',7'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]

C96H96N8 — CID 161280707

About bis(2',7'-dimethyl-6'-(4-methyl-2-pyridinyl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);2',7'-dimethyl-6'-pyridin-2-ylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-(4-ethyl-2-pyridinyl)-2',7'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]

bis(2',7'-dimethyl-6'-(4-methyl-2-pyridinyl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);2',7'-dimethyl-6'-pyridin-2-ylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-(4-ethyl-2-pyridinyl)-2',7'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine] (PubChem CID 161280707) has the molecular formula C96H96N8 and a molecular weight of 1361.88 g/mol. Its IUPAC name is bis(2',7'-dimethyl-6'-(4-methyl-2-pyridinyl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);2',7'-dimethyl-6'-pyridin-2-ylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-(4-ethyl-2-pyridinyl)-2',7'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine].

Molecular Properties

• Compound Name: bis(2',7'-dimethyl-6'-(4-methyl-2-pyridinyl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);2',7'-dimethyl-6'-pyridin-2-ylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-(4-ethyl-2-pyridinyl)-2',7'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]
• PubChem CID: 161280707
• Molecular Formula: C96H96N8
• Molecular Weight: 1361.88 g/mol
• Exact Mass: 1360.78
• IUPAC Name: bis(2',7'-dimethyl-6'-(4-methyl-2-pyridinyl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);2',7'-dimethyl-6'-pyridin-2-ylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-(4-ethyl-2-pyridinyl)-2',7'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]
• SMILES: CCc1ccnc(-c2cc3c(cc2C)C2(CCCC2)c2nc(C)ccc2-3)c1.Cc1ccc2c(n1)C1(CCCC1)c1cc(C)c(-c3ccccn3)cc1-2.Cc1ccnc(-c2cc3c(cc2C)C2(CCCC2)c2nc(C)ccc2-3)c1.Cc1ccnc(-c2cc3c(cc2C)C2(CCCC2)c2nc(C)ccc2-3)c1
• InChI: InChI=1S/C25H26N2.2C24H24N2.C23H22N2/c1-4-18-9-12-26-23(14-18)20-15-21-19-8-7-17(3)27-24(19)25(10-5-6-11-25)22(21)13-16(20)2;2*1-15-8-11-25-22(12-15)19-14-20-18-7-6-17(3)26-23(18)24(9-4-5-10-24)21(20)13-16(19)2;1-15-13-20-19(14-18(15)21-7-3-6-12-24-21)17-9-8-16(2)25-22(17)23(20)10-4-5-11-23/h7-9,12-15H,4-6,10-11H2,1-3H3;2*6-8,11-14H,4-5,9-10H2,1-3H3;3,6-9,12-14H,4-5,10-11H2,1-2H3
• InChIKey: VFAVZLMLCMASNK-UHFFFAOYSA-N
• XLogP: 23.58
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1361.88
LogP ≤ 5	23.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of bis(2',7'-dimethyl-6'-(4-methyl-2-pyridinyl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);2',7'-dimethyl-6'-pyridin-2-ylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-(4-ethyl-2-pyridinyl)-2',7'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]?

The IUPAC name of bis(2',7'-dimethyl-6'-(4-methyl-2-pyridinyl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);2',7'-dimethyl-6'-pyridin-2-ylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-(4-ethyl-2-pyridinyl)-2',7'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine] (CID 161280707) is bis(2',7'-dimethyl-6'-(4-methyl-2-pyridinyl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);2',7'-dimethyl-6'-pyridin-2-ylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-(4-ethyl-2-pyridinyl)-2',7'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine].

What is the SMILES notation for bis(2',7'-dimethyl-6'-(4-methyl-2-pyridinyl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);2',7'-dimethyl-6'-pyridin-2-ylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-(4-ethyl-2-pyridinyl)-2',7'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]?

The canonical SMILES for bis(2',7'-dimethyl-6'-(4-methyl-2-pyridinyl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);2',7'-dimethyl-6'-pyridin-2-ylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-(4-ethyl-2-pyridinyl)-2',7'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine] is CCc1ccnc(-c2cc3c(cc2C)C2(CCCC2)c2nc(C)ccc2-3)c1.Cc1ccc2c(n1)C1(CCCC1)c1cc(C)c(-c3ccccn3)cc1-2.Cc1ccnc(-c2cc3c(cc2C)C2(CCCC2)c2nc(C)ccc2-3)c1.Cc1ccnc(-c2cc3c(cc2C)C2(CCCC2)c2nc(C)ccc2-3)c1.

What is the InChIKey of bis(2',7'-dimethyl-6'-(4-methyl-2-pyridinyl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);2',7'-dimethyl-6'-pyridin-2-ylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-(4-ethyl-2-pyridinyl)-2',7'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]?

The InChIKey is VFAVZLMLCMASNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2.2C24H24N2.C23H22N2/c1-4-18-9-12-26-23(14-18)20-15-21-19-8-7-17(3)27-24(19)25(10-5-6-11-25)22(21)13-16(20)2;2*1-15-8-11-25-22(12-15)19-14-20-18-7-6-17(3)26-23(18)24(9-4-5-10-24)21(20)13-16(19)2;1-15-13-20-19(14-18(15)21-7-3-6-12-24-21)17-9-8-16(2)25-22(17)23(20)10-4-5-11-23/h7-9,12-15H,4-6,10-11H2,1-3H3;2*6-8,11-14H,4-5,9-10H2,1-3H3;3,6-9,12-14H,4-5,10-11H2,1-2H3.

What are the key properties of bis(2',7'-dimethyl-6'-(4-methyl-2-pyridinyl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);2',7'-dimethyl-6'-pyridin-2-ylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-(4-ethyl-2-pyridinyl)-2',7'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]?

bis(2',7'-dimethyl-6'-(4-methyl-2-pyridinyl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);2',7'-dimethyl-6'-pyridin-2-ylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-(4-ethyl-2-pyridinyl)-2',7'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine] has a molecular weight of 1361.88 g/mol, XLogP of 23.58, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2',7'-dimethyl-6'-(4-methyl-2-pyridinyl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]);2',7'-dimethyl-6'-pyridin-2-ylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-(4-ethyl-2-pyridinyl)-2',7'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine] is sourced from PubChem (CID 161280707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).