16-(benzimidazolo[1,2-c]quinazolin-6-yl)-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-16-[4-(4-phenylphenyl)quinolin-2-yl]-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-16-(4-quinolin-8-ylphenyl)-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene

C125H86N8 — CID 158558821

About 16-(benzimidazolo[1,2-c]quinazolin-6-yl)-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-16-[4-(4-phenylphenyl)quinolin-2-yl]-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-16-(4-quinolin-8-ylphenyl)-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene

16-(benzimidazolo[1,2-c]quinazolin-6-yl)-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-16-[4-(4-phenylphenyl)quinolin-2-yl]-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-16-(4-quinolin-8-ylphenyl)-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene (PubChem CID 158558821) has the molecular formula C125H86N8 and a molecular weight of 1700.12 g/mol. Its IUPAC name is 16-(benzimidazolo[1,2-c]quinazolin-6-yl)-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-16-[4-(4-phenylphenyl)quinolin-2-yl]-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-16-(4-quinolin-8-ylphenyl)-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene.

Molecular Properties

• Compound Name: 16-(benzimidazolo[1,2-c]quinazolin-6-yl)-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-16-[4-(4-phenylphenyl)quinolin-2-yl]-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-16-(4-quinolin-8-ylphenyl)-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene
• PubChem CID: 158558821
• Molecular Formula: C125H86N8
• Molecular Weight: 1700.12 g/mol
• Exact Mass: 1698.70
• IUPAC Name: 16-(benzimidazolo[1,2-c]quinazolin-6-yl)-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-16-[4-(4-phenylphenyl)quinolin-2-yl]-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-16-(4-quinolin-8-ylphenyl)-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene
• SMILES: CC1(C)c2ccccc2-c2c3c1cccc3cc1c2c2ccccc2n1-c1cc(-c2ccc(-c3ccccc3)cc2)c2ccccc2n1.CC1(C)c2ccccc2-c2c3c1cccc3cc1c2c2ccccc2n1-c1ccc(-c2cccc3cccnc23)cc1.CC1(C)c2ccccc2-c2c3c1cccc3cc1c2c2ccccc2n1-c1nc2ccccc2c2nc3ccccc3n12
• InChI: InChI=1S/C46H32N2.C40H28N2.C39H26N4/c1-46(2)37-19-9-6-17-34(37)45-43-32(15-12-20-38(43)46)27-41-44(45)35-18-8-11-22-40(35)48(41)42-28-36(33-16-7-10-21-39(33)47-42)31-25-23-30(24-26-31)29-13-4-3-5-14-29;1-40(2)32-16-5-3-13-30(32)38-36-27(11-8-17-33(36)40)24-35-37(38)31-14-4-6-18-34(31)42(35)28-21-19-25(20-22-28)29-15-7-10-26-12-9-23-41-39(26)29;1-39(2)27-16-6-3-13-24(27)36-34-23(12-11-17-28(34)39)22-33-35(36)26-15-5-9-20-31(26)42(33)38-41-29-18-7-4-14-25(29)37-40-30-19-8-10-21-32(30)43(37)38/h3-28H,1-2H3;3-24H,1-2H3;3-22H,1-2H3
• InChIKey: HQPXUPNGWALMDI-UHFFFAOYSA-N
• XLogP: 32.18
• TPSA: 70.76 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1700.12
LogP ≤ 5	32.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 16-(benzimidazolo[1,2-c]quinazolin-6-yl)-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-16-[4-(4-phenylphenyl)quinolin-2-yl]-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-16-(4-quinolin-8-ylphenyl)-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene?

The IUPAC name of 16-(benzimidazolo[1,2-c]quinazolin-6-yl)-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-16-[4-(4-phenylphenyl)quinolin-2-yl]-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-16-(4-quinolin-8-ylphenyl)-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene (CID 158558821) is 16-(benzimidazolo[1,2-c]quinazolin-6-yl)-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-16-[4-(4-phenylphenyl)quinolin-2-yl]-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-16-(4-quinolin-8-ylphenyl)-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene.

What is the SMILES notation for 16-(benzimidazolo[1,2-c]quinazolin-6-yl)-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-16-[4-(4-phenylphenyl)quinolin-2-yl]-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-16-(4-quinolin-8-ylphenyl)-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene?

The canonical SMILES for 16-(benzimidazolo[1,2-c]quinazolin-6-yl)-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-16-[4-(4-phenylphenyl)quinolin-2-yl]-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-16-(4-quinolin-8-ylphenyl)-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene is CC1(C)c2ccccc2-c2c3c1cccc3cc1c2c2ccccc2n1-c1cc(-c2ccc(-c3ccccc3)cc2)c2ccccc2n1.CC1(C)c2ccccc2-c2c3c1cccc3cc1c2c2ccccc2n1-c1ccc(-c2cccc3cccnc23)cc1.CC1(C)c2ccccc2-c2c3c1cccc3cc1c2c2ccccc2n1-c1nc2ccccc2c2nc3ccccc3n12.

What is the InChIKey of 16-(benzimidazolo[1,2-c]quinazolin-6-yl)-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-16-[4-(4-phenylphenyl)quinolin-2-yl]-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-16-(4-quinolin-8-ylphenyl)-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene?

The InChIKey is HQPXUPNGWALMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2.C40H28N2.C39H26N4/c1-46(2)37-19-9-6-17-34(37)45-43-32(15-12-20-38(43)46)27-41-44(45)35-18-8-11-22-40(35)48(41)42-28-36(33-16-7-10-21-39(33)47-42)31-25-23-30(24-26-31)29-13-4-3-5-14-29;1-40(2)32-16-5-3-13-30(32)38-36-27(11-8-17-33(36)40)24-35-37(38)31-14-4-6-18-34(31)42(35)28-21-19-25(20-22-28)29-15-7-10-26-12-9-23-41-39(26)29;1-39(2)27-16-6-3-13-24(27)36-34-23(12-11-17-28(34)39)22-33-35(36)26-15-5-9-20-31(26)42(33)38-41-29-18-7-4-14-25(29)37-40-30-19-8-10-21-32(30)43(37)38/h3-28H,1-2H3;3-24H,1-2H3;3-22H,1-2H3.

What are the key properties of 16-(benzimidazolo[1,2-c]quinazolin-6-yl)-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-16-[4-(4-phenylphenyl)quinolin-2-yl]-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-16-(4-quinolin-8-ylphenyl)-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene?

16-(benzimidazolo[1,2-c]quinazolin-6-yl)-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-16-[4-(4-phenylphenyl)quinolin-2-yl]-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-16-(4-quinolin-8-ylphenyl)-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene has a molecular weight of 1700.12 g/mol, XLogP of 32.18, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 16-(benzimidazolo[1,2-c]quinazolin-6-yl)-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-16-[4-(4-phenylphenyl)quinolin-2-yl]-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene;8,8-dimethyl-16-(4-quinolin-8-ylphenyl)-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene is sourced from PubChem (CID 158558821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).