N-(4-fluorophenyl)-5-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-N-(4-phenylphenyl)pyridin-2-amine

C47H32FN3 — CID 129062143

About N-(4-fluorophenyl)-5-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-N-(4-phenylphenyl)pyridin-2-amine

N-(4-fluorophenyl)-5-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-N-(4-phenylphenyl)pyridin-2-amine (PubChem CID 129062143) has the molecular formula C47H32FN3 and a molecular weight of 657.79 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-N-(4-phenylphenyl)pyridin-2-amine.

Molecular Properties

• Compound Name: N-(4-fluorophenyl)-5-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-N-(4-phenylphenyl)pyridin-2-amine
• PubChem CID: 129062143
• Molecular Formula: C47H32FN3
• Molecular Weight: 657.79 g/mol
• Exact Mass: 657.26
• IUPAC Name: N-(4-fluorophenyl)-5-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-N-(4-phenylphenyl)pyridin-2-amine
• SMILES: Fc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4c(c3)-c3ccccc3-c3ccccc3N4c3ccccc3)cn2)cc1
• InChI: InChI=1S/C47H32FN3/c48-37-23-27-40(28-24-37)50(39-25-19-34(20-26-39)33-11-3-1-4-12-33)47-30-22-36(32-49-47)35-21-29-46-44(31-35)42-16-8-7-15-41(42)43-17-9-10-18-45(43)51(46)38-13-5-2-6-14-38/h1-32H
• InChIKey: KRBYEBFNXKROPU-UHFFFAOYSA-N
• XLogP: 13.14
• TPSA: 19.37 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.79
LogP ≤ 5	13.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-N-(4-phenylphenyl)pyridin-2-amine?

The IUPAC name of N-(4-fluorophenyl)-5-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-N-(4-phenylphenyl)pyridin-2-amine (CID 129062143) is N-(4-fluorophenyl)-5-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-N-(4-phenylphenyl)pyridin-2-amine.

What is the SMILES notation for N-(4-fluorophenyl)-5-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-N-(4-phenylphenyl)pyridin-2-amine?

The canonical SMILES for N-(4-fluorophenyl)-5-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-N-(4-phenylphenyl)pyridin-2-amine is Fc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4c(c3)-c3ccccc3-c3ccccc3N4c3ccccc3)cn2)cc1.

What is the InChIKey of N-(4-fluorophenyl)-5-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-N-(4-phenylphenyl)pyridin-2-amine?

The InChIKey is KRBYEBFNXKROPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32FN3/c48-37-23-27-40(28-24-37)50(39-25-19-34(20-26-39)33-11-3-1-4-12-33)47-30-22-36(32-49-47)35-21-29-46-44(31-35)42-16-8-7-15-41(42)43-17-9-10-18-45(43)51(46)38-13-5-2-6-14-38/h1-32H.

What are the key properties of N-(4-fluorophenyl)-5-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-N-(4-phenylphenyl)pyridin-2-amine?

N-(4-fluorophenyl)-5-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-N-(4-phenylphenyl)pyridin-2-amine has a molecular weight of 657.79 g/mol, XLogP of 13.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluorophenyl)-5-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-N-(4-phenylphenyl)pyridin-2-amine is sourced from PubChem (CID 129062143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).