8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-[4-(4-phenylphenyl)quinolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;22-(4-quinolin-8-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene

C129H87N7 — CID 162168761

About 8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-[4-(4-phenylphenyl)quinolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;22-(4-quinolin-8-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene

8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-[4-(4-phenylphenyl)quinolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;22-(4-quinolin-8-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene (PubChem CID 162168761) has the molecular formula C129H87N7 and a molecular weight of 1735.16 g/mol. Its IUPAC name is 8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-[4-(4-phenylphenyl)quinolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;22-(4-quinolin-8-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene.

Molecular Properties

• Compound Name: 8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-[4-(4-phenylphenyl)quinolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;22-(4-quinolin-8-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
• PubChem CID: 162168761
• Molecular Formula: C129H87N7
• Molecular Weight: 1735.16 g/mol
• Exact Mass: 1733.70
• IUPAC Name: 8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-[4-(4-phenylphenyl)quinolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;22-(4-quinolin-8-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
• SMILES: CC1(C)c2ccccc2-c2c3c1cccc3cc1c3ccccc3n(-c3cc(-c4ccc(-c5ccccc5)cc4)c4ccccc4n3)c21.CC1(C)c2ccccc2-c2c3c1cccc3cc1c3ccccc3n(-c3nc(-c4ccc(-c5ccccc5)cc4)c4ccccc4n3)c21.c1ccc2c(c1)Cc1cccc3cc4c5ccccc5n(-c5ccc(-c6cccc7cccnc67)cc5)c4c-2c13
• InChI: InChI=1S/C46H32N2.C45H31N3.C38H24N2/c1-46(2)38-19-9-6-18-35(38)44-43-32(15-12-20-39(43)46)27-37-34-17-8-11-22-41(34)48(45(37)44)42-28-36(33-16-7-10-21-40(33)47-42)31-25-23-30(24-26-31)29-13-4-3-5-14-29;1-45(2)36-19-9-6-17-33(36)41-40-31(15-12-20-37(40)45)27-35-32-16-8-11-22-39(32)48(43(35)41)44-46-38-21-10-7-18-34(38)42(47-44)30-25-23-29(24-26-30)28-13-4-3-5-14-28;1-2-13-30-26(8-1)22-27-10-5-11-28-23-33-32-14-3-4-16-34(32)40(38(33)36(30)35(27)28)29-19-17-24(18-20-29)31-15-6-9-25-12-7-21-39-37(25)31/h3-28H,1-2H3;3-27H,1-2H3;1-21,23H,22H2
• InChIKey: ZNMRMJMRUNHGKG-UHFFFAOYSA-N
• XLogP: 33.37
• TPSA: 66.35 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1735.16
LogP ≤ 5	33.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-[4-(4-phenylphenyl)quinolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;22-(4-quinolin-8-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene?

The IUPAC name of 8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-[4-(4-phenylphenyl)quinolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;22-(4-quinolin-8-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene (CID 162168761) is 8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-[4-(4-phenylphenyl)quinolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;22-(4-quinolin-8-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene.

What is the SMILES notation for 8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-[4-(4-phenylphenyl)quinolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;22-(4-quinolin-8-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene?

The canonical SMILES for 8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-[4-(4-phenylphenyl)quinolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;22-(4-quinolin-8-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene is CC1(C)c2ccccc2-c2c3c1cccc3cc1c3ccccc3n(-c3cc(-c4ccc(-c5ccccc5)cc4)c4ccccc4n3)c21.CC1(C)c2ccccc2-c2c3c1cccc3cc1c3ccccc3n(-c3nc(-c4ccc(-c5ccccc5)cc4)c4ccccc4n3)c21.c1ccc2c(c1)Cc1cccc3cc4c5ccccc5n(-c5ccc(-c6cccc7cccnc67)cc5)c4c-2c13.

What is the InChIKey of 8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-[4-(4-phenylphenyl)quinolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;22-(4-quinolin-8-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene?

The InChIKey is ZNMRMJMRUNHGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2.C45H31N3.C38H24N2/c1-46(2)38-19-9-6-18-35(38)44-43-32(15-12-20-39(43)46)27-37-34-17-8-11-22-41(34)48(45(37)44)42-28-36(33-16-7-10-21-40(33)47-42)31-25-23-30(24-26-31)29-13-4-3-5-14-29;1-45(2)36-19-9-6-17-33(36)41-40-31(15-12-20-37(40)45)27-35-32-16-8-11-22-39(32)48(43(35)41)44-46-38-21-10-7-18-34(38)42(47-44)30-25-23-29(24-26-30)28-13-4-3-5-14-28;1-2-13-30-26(8-1)22-27-10-5-11-28-23-33-32-14-3-4-16-34(32)40(38(33)36(30)35(27)28)29-19-17-24(18-20-29)31-15-6-9-25-12-7-21-39-37(25)31/h3-28H,1-2H3;3-27H,1-2H3;1-21,23H,22H2.

What are the key properties of 8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-[4-(4-phenylphenyl)quinolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;22-(4-quinolin-8-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene?

8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-[4-(4-phenylphenyl)quinolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;22-(4-quinolin-8-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene has a molecular weight of 1735.16 g/mol, XLogP of 33.37, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-[4-(4-phenylphenyl)quinolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;22-(4-quinolin-8-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene is sourced from PubChem (CID 162168761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).