12-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-16-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-[4-(3,5-dimethylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-naphthalen-1-yl-12-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-phenanthren-9-yl-12-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene

C190H121N17 — CID 157107083

About 12-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-16-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-[4-(3,5-dimethylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-naphthalen-1-yl-12-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-phenanthren-9-yl-12-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene

12-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-16-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-[4-(3,5-dimethylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-naphthalen-1-yl-12-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-phenanthren-9-yl-12-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene (PubChem CID 157107083) has the molecular formula C190H121N17 and a molecular weight of 2642.18 g/mol. Its IUPAC name is 12-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-16-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-[4-(3,5-dimethylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-naphthalen-1-yl-12-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-phenanthren-9-yl-12-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene.

Molecular Properties

• Compound Name: 12-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-16-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-[4-(3,5-dimethylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-naphthalen-1-yl-12-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-phenanthren-9-yl-12-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
• PubChem CID: 157107083
• Molecular Formula: C190H121N17
• Molecular Weight: 2642.18 g/mol
• Exact Mass: 2640.00
• IUPAC Name: 12-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-16-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-[4-(3,5-dimethylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-naphthalen-1-yl-12-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-phenanthren-9-yl-12-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5cc6ccccc6cc5c5cc6c7ccccc7n(-c7ccccn7)c6cc54)nc4ccccc34)cc21.Cc1cc(C)cc(-c2nc(-n3c4cc5ccccc5cc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)nc3ccccc23)c1.c1ccc(-c2nc(-n3c4cc5ccccc5cc4c4cc5c6ccccc6n(-c6cc7ccccc7c7ccccc67)c5cc43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4cc5ccccc5cc4c4cc5c6ccccc6n(-c6cccc7ccccc67)c5cc43)nc3ccccc23)cc1
• InChI: InChI=1S/C50H33N5.C50H30N4.C46H28N4.C44H30N4/c1-50(2)40-18-8-5-15-33(40)34-23-22-32(26-41(34)50)48-36-17-6-9-19-42(36)52-49(53-48)55-44-27-31-14-4-3-13-30(31)25-37(44)39-28-38-35-16-7-10-20-43(35)54(45(38)29-46(39)55)47-21-11-12-24-51-47;1-2-14-31(15-3-1)49-39-23-10-12-24-43(39)51-50(52-49)54-46-27-33-17-5-4-16-32(33)26-40(46)42-29-41-38-22-11-13-25-44(38)53(47(41)30-48(42)54)45-28-34-18-6-7-19-35(34)36-20-8-9-21-37(36)45;1-2-14-30(15-3-1)45-35-21-8-10-22-39(35)47-46(48-45)50-42-26-32-17-5-4-16-31(32)25-36(42)38-27-37-34-20-9-11-23-41(34)49(43(37)28-44(38)50)40-24-12-18-29-13-6-7-19-33(29)40;1-27-20-28(2)22-31(21-27)43-34-17-8-10-18-38(34)45-44(46-43)48-40-24-30-13-7-6-12-29(30)23-35(40)37-25-36-33-16-9-11-19-39(33)47(41(36)26-42(37)48)32-14-4-3-5-15-32/h3-29H,1-2H3;1-30H;1-28H;3-26H,1-2H3
• InChIKey: AGKNZTYOLXUUQT-UHFFFAOYSA-N
• XLogP: 48.35
• TPSA: 155.45 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2642.18
LogP ≤ 5	48.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 12-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-16-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-[4-(3,5-dimethylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-naphthalen-1-yl-12-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-phenanthren-9-yl-12-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene?

The IUPAC name of 12-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-16-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-[4-(3,5-dimethylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-naphthalen-1-yl-12-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-phenanthren-9-yl-12-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene (CID 157107083) is 12-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-16-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-[4-(3,5-dimethylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-naphthalen-1-yl-12-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-phenanthren-9-yl-12-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene.

What is the SMILES notation for 12-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-16-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-[4-(3,5-dimethylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-naphthalen-1-yl-12-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-phenanthren-9-yl-12-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene?

The canonical SMILES for 12-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-16-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-[4-(3,5-dimethylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-naphthalen-1-yl-12-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-phenanthren-9-yl-12-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene is CC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5cc6ccccc6cc5c5cc6c7ccccc7n(-c7ccccn7)c6cc54)nc4ccccc34)cc21.Cc1cc(C)cc(-c2nc(-n3c4cc5ccccc5cc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)nc3ccccc23)c1.c1ccc(-c2nc(-n3c4cc5ccccc5cc4c4cc5c6ccccc6n(-c6cc7ccccc7c7ccccc67)c5cc43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4cc5ccccc5cc4c4cc5c6ccccc6n(-c6cccc7ccccc67)c5cc43)nc3ccccc23)cc1.

What is the InChIKey of 12-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-16-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-[4-(3,5-dimethylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-naphthalen-1-yl-12-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-phenanthren-9-yl-12-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene?

The InChIKey is AGKNZTYOLXUUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N5.C50H30N4.C46H28N4.C44H30N4/c1-50(2)40-18-8-5-15-33(40)34-23-22-32(26-41(34)50)48-36-17-6-9-19-42(36)52-49(53-48)55-44-27-31-14-4-3-13-30(31)25-37(44)39-28-38-35-16-7-10-20-43(35)54(45(38)29-46(39)55)47-21-11-12-24-51-47;1-2-14-31(15-3-1)49-39-23-10-12-24-43(39)51-50(52-49)54-46-27-33-17-5-4-16-32(33)26-40(46)42-29-41-38-22-11-13-25-44(38)53(47(41)30-48(42)54)45-28-34-18-6-7-19-35(34)36-20-8-9-21-37(36)45;1-2-14-30(15-3-1)45-35-21-8-10-22-39(35)47-46(48-45)50-42-26-32-17-5-4-16-31(32)25-36(42)38-27-37-34-20-9-11-23-41(34)49(43(37)28-44(38)50)40-24-12-18-29-13-6-7-19-33(29)40;1-27-20-28(2)22-31(21-27)43-34-17-8-10-18-38(34)45-44(46-43)48-40-24-30-13-7-6-12-29(30)23-35(40)37-25-36-33-16-9-11-19-39(33)47(41(36)26-42(37)48)32-14-4-3-5-15-32/h3-29H,1-2H3;1-30H;1-28H;3-26H,1-2H3.

What are the key properties of 12-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-16-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-[4-(3,5-dimethylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-naphthalen-1-yl-12-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-phenanthren-9-yl-12-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene?

12-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-16-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-[4-(3,5-dimethylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-naphthalen-1-yl-12-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-phenanthren-9-yl-12-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene has a molecular weight of 2642.18 g/mol, XLogP of 48.35, 12 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-16-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-[4-(3,5-dimethylphenyl)quinazolin-2-yl]-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-naphthalen-1-yl-12-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-phenanthren-9-yl-12-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene is sourced from PubChem (CID 157107083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).