9,9-dimethyl-24-(4-phenylbenzo[h]quinazolin-2-yl)-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,9-dimethyl-24-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;24-(4,7-diphenyl-1,10-phenanthrolin-2-yl)-9,9-dimethyl-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene

C136H90N12 — CID 167588604

About 9,9-dimethyl-24-(4-phenylbenzo[h]quinazolin-2-yl)-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,9-dimethyl-24-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;24-(4,7-diphenyl-1,10-phenanthrolin-2-yl)-9,9-dimethyl-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene

9,9-dimethyl-24-(4-phenylbenzo[h]quinazolin-2-yl)-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,9-dimethyl-24-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;24-(4,7-diphenyl-1,10-phenanthrolin-2-yl)-9,9-dimethyl-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene (PubChem CID 167588604) has the molecular formula C136H90N12 and a molecular weight of 1892.30 g/mol. Its IUPAC name is 9,9-dimethyl-24-(4-phenylbenzo[h]quinazolin-2-yl)-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,9-dimethyl-24-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;24-(4,7-diphenyl-1,10-phenanthrolin-2-yl)-9,9-dimethyl-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene.

Molecular Properties

• Compound Name: 9,9-dimethyl-24-(4-phenylbenzo[h]quinazolin-2-yl)-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,9-dimethyl-24-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;24-(4,7-diphenyl-1,10-phenanthrolin-2-yl)-9,9-dimethyl-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene
• PubChem CID: 167588604
• Molecular Formula: C136H90N12
• Molecular Weight: 1892.30 g/mol
• Exact Mass: 1890.74
• IUPAC Name: 9,9-dimethyl-24-(4-phenylbenzo[h]quinazolin-2-yl)-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,9-dimethyl-24-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;24-(4,7-diphenyl-1,10-phenanthrolin-2-yl)-9,9-dimethyl-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene
• SMILES: CC1(C)c2ccccc2-c2c1c1cnccc1c1c3ccccc3n(-c3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)ccnc5c4n3)c21.CC1(C)c2ccccc2-c2c1c1cnccc1c1c3ccccc3n(-c3nc(-c4ccccc4)c4c5ccccc5c5ccccc5c4n3)c21.CC1(C)c2ccccc2-c2c1c1cnccc1c1c3ccccc3n(-c3nc(-c4ccccc4)c4ccc5ccccc5c4n3)c21
• InChI: InChI=1S/C48H32N4.C46H30N4.C42H28N4/c1-48(2)39-19-11-9-17-35(39)43-44(48)38-28-49-25-23-32(38)42-36-18-10-12-20-40(36)52(47(42)43)41-27-37(30-15-7-4-8-16-30)34-22-21-33-31(29-13-5-3-6-14-29)24-26-50-45(33)46(34)51-41;1-46(2)36-22-12-10-20-33(36)39-41(46)35-26-47-25-24-31(35)38-34-21-11-13-23-37(34)50(44(38)39)45-48-42(27-14-4-3-5-15-27)40-30-18-8-6-16-28(30)29-17-7-9-19-32(29)43(40)49-45;1-42(2)33-18-10-8-16-29(33)36-37(42)32-24-43-23-22-28(32)35-30-17-9-11-19-34(30)46(40(35)36)41-44-38(26-13-4-3-5-14-26)31-21-20-25-12-6-7-15-27(25)39(31)45-41/h3-28H,1-2H3;3-26H,1-2H3;3-24H,1-2H3
• InChIKey: ICZQILHBKNDWRY-UHFFFAOYSA-N
• XLogP: 34.03
• TPSA: 130.80 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1892.30
LogP ≤ 5	34.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-24-(4-phenylbenzo[h]quinazolin-2-yl)-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,9-dimethyl-24-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;24-(4,7-diphenyl-1,10-phenanthrolin-2-yl)-9,9-dimethyl-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene?

The IUPAC name of 9,9-dimethyl-24-(4-phenylbenzo[h]quinazolin-2-yl)-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,9-dimethyl-24-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;24-(4,7-diphenyl-1,10-phenanthrolin-2-yl)-9,9-dimethyl-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene (CID 167588604) is 9,9-dimethyl-24-(4-phenylbenzo[h]quinazolin-2-yl)-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,9-dimethyl-24-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;24-(4,7-diphenyl-1,10-phenanthrolin-2-yl)-9,9-dimethyl-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene.

What is the SMILES notation for 9,9-dimethyl-24-(4-phenylbenzo[h]quinazolin-2-yl)-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,9-dimethyl-24-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;24-(4,7-diphenyl-1,10-phenanthrolin-2-yl)-9,9-dimethyl-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene?

The canonical SMILES for 9,9-dimethyl-24-(4-phenylbenzo[h]quinazolin-2-yl)-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,9-dimethyl-24-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;24-(4,7-diphenyl-1,10-phenanthrolin-2-yl)-9,9-dimethyl-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene is CC1(C)c2ccccc2-c2c1c1cnccc1c1c3ccccc3n(-c3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)ccnc5c4n3)c21.CC1(C)c2ccccc2-c2c1c1cnccc1c1c3ccccc3n(-c3nc(-c4ccccc4)c4c5ccccc5c5ccccc5c4n3)c21.CC1(C)c2ccccc2-c2c1c1cnccc1c1c3ccccc3n(-c3nc(-c4ccccc4)c4ccc5ccccc5c4n3)c21.

What is the InChIKey of 9,9-dimethyl-24-(4-phenylbenzo[h]quinazolin-2-yl)-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,9-dimethyl-24-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;24-(4,7-diphenyl-1,10-phenanthrolin-2-yl)-9,9-dimethyl-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene?

The InChIKey is ICZQILHBKNDWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N4.C46H30N4.C42H28N4/c1-48(2)39-19-11-9-17-35(39)43-44(48)38-28-49-25-23-32(38)42-36-18-10-12-20-40(36)52(47(42)43)41-27-37(30-15-7-4-8-16-30)34-22-21-33-31(29-13-5-3-6-14-29)24-26-50-45(33)46(34)51-41;1-46(2)36-22-12-10-20-33(36)39-41(46)35-26-47-25-24-31(35)38-34-21-11-13-23-37(34)50(44(38)39)45-48-42(27-14-4-3-5-15-27)40-30-18-8-6-16-28(30)29-17-7-9-19-32(29)43(40)49-45;1-42(2)33-18-10-8-16-29(33)36-37(42)32-24-43-23-22-28(32)35-30-17-9-11-19-34(30)46(40(35)36)41-44-38(26-13-4-3-5-14-26)31-21-20-25-12-6-7-15-27(25)39(31)45-41/h3-28H,1-2H3;3-26H,1-2H3;3-24H,1-2H3.

What are the key properties of 9,9-dimethyl-24-(4-phenylbenzo[h]quinazolin-2-yl)-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,9-dimethyl-24-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;24-(4,7-diphenyl-1,10-phenanthrolin-2-yl)-9,9-dimethyl-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene?

9,9-dimethyl-24-(4-phenylbenzo[h]quinazolin-2-yl)-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,9-dimethyl-24-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;24-(4,7-diphenyl-1,10-phenanthrolin-2-yl)-9,9-dimethyl-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene has a molecular weight of 1892.30 g/mol, XLogP of 34.03, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-24-(4-phenylbenzo[h]quinazolin-2-yl)-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,9-dimethyl-24-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;24-(4,7-diphenyl-1,10-phenanthrolin-2-yl)-9,9-dimethyl-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene is sourced from PubChem (CID 167588604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).