8,8-dimethyl-5-(4-phenylphenyl)-15-pyridin-3-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene

C33H25N3 — CID 140703691

About 8,8-dimethyl-5-(4-phenylphenyl)-15-pyridin-3-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene

8,8-dimethyl-5-(4-phenylphenyl)-15-pyridin-3-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene (PubChem CID 140703691) has the molecular formula C33H25N3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 8,8-dimethyl-5-(4-phenylphenyl)-15-pyridin-3-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene.

Molecular Properties

• Compound Name: 8,8-dimethyl-5-(4-phenylphenyl)-15-pyridin-3-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene
• PubChem CID: 140703691
• Molecular Formula: C33H25N3
• Molecular Weight: 463.58 g/mol
• Exact Mass: 463.20
• IUPAC Name: 8,8-dimethyl-5-(4-phenylphenyl)-15-pyridin-3-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene
• SMILES: CC1(C)c2cc(-c3ccc(-c4ccccc4)cc3)ccc2-n2c(-c3cccnc3)nc3cccc1c32
• InChI: InChI=1S/C33H25N3/c1-33(2)27-11-6-12-29-31(27)36(32(35-29)26-10-7-19-34-21-26)30-18-17-25(20-28(30)33)24-15-13-23(14-16-24)22-8-4-3-5-9-22/h3-21H,1-2H3
• InChIKey: HHRGHQPOHZTEIE-UHFFFAOYSA-N
• XLogP: 8.06
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.58
LogP ≤ 5	8.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-5-(4-phenylphenyl)-15-pyridin-3-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene?

The IUPAC name of 8,8-dimethyl-5-(4-phenylphenyl)-15-pyridin-3-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene (CID 140703691) is 8,8-dimethyl-5-(4-phenylphenyl)-15-pyridin-3-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene.

What is the SMILES notation for 8,8-dimethyl-5-(4-phenylphenyl)-15-pyridin-3-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene?

The canonical SMILES for 8,8-dimethyl-5-(4-phenylphenyl)-15-pyridin-3-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene is CC1(C)c2cc(-c3ccc(-c4ccccc4)cc3)ccc2-n2c(-c3cccnc3)nc3cccc1c32.

What is the InChIKey of 8,8-dimethyl-5-(4-phenylphenyl)-15-pyridin-3-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene?

The InChIKey is HHRGHQPOHZTEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N3/c1-33(2)27-11-6-12-29-31(27)36(32(35-29)26-10-7-19-34-21-26)30-18-17-25(20-28(30)33)24-15-13-23(14-16-24)22-8-4-3-5-9-22/h3-21H,1-2H3.

What are the key properties of 8,8-dimethyl-5-(4-phenylphenyl)-15-pyridin-3-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene?

8,8-dimethyl-5-(4-phenylphenyl)-15-pyridin-3-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene has a molecular weight of 463.58 g/mol, XLogP of 8.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8,8-dimethyl-5-(4-phenylphenyl)-15-pyridin-3-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene is sourced from PubChem (CID 140703691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).