(Z)-N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-ylmethyl)-3-phenyl-1-(3-phenylphenyl)prop-1-en-1-amine

C40H30N2 — CID 135245571

About (Z)-N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-ylmethyl)-3-phenyl-1-(3-phenylphenyl)prop-1-en-1-amine

(Z)-N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-ylmethyl)-3-phenyl-1-(3-phenylphenyl)prop-1-en-1-amine (PubChem CID 135245571) has the molecular formula C40H30N2 and a molecular weight of 538.69 g/mol. Its IUPAC name is (Z)-N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-ylmethyl)-3-phenyl-1-(3-phenylphenyl)prop-1-en-1-amine.

Molecular Properties

• Compound Name: (Z)-N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-ylmethyl)-3-phenyl-1-(3-phenylphenyl)prop-1-en-1-amine
• PubChem CID: 135245571
• Molecular Formula: C40H30N2
• Molecular Weight: 538.69 g/mol
• Exact Mass: 538.24
• IUPAC Name: (Z)-N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-ylmethyl)-3-phenyl-1-(3-phenylphenyl)prop-1-en-1-amine
• SMILES: C(\Cc1ccccc1)=C(\NCc1ccc2c3cccc4c5ccccc5n(c2c1)c43)c1cccc(-c2ccccc2)c1
• InChI: InChI=1S/C40H30N2/c1-3-11-28(12-4-1)22-24-37(32-16-9-15-31(26-32)30-13-5-2-6-14-30)41-27-29-21-23-34-36-19-10-18-35-33-17-7-8-20-38(33)42(40(35)36)39(34)25-29/h1-21,23-26,41H,22,27H2/b37-24-
• InChIKey: KPJHNLYTERCXSR-PNEAAFPUSA-N
• XLogP: 9.88
• TPSA: 16.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.69
LogP ≤ 5	9.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-ylmethyl)-3-phenyl-1-(3-phenylphenyl)prop-1-en-1-amine?

The IUPAC name of (Z)-N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-ylmethyl)-3-phenyl-1-(3-phenylphenyl)prop-1-en-1-amine (CID 135245571) is (Z)-N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-ylmethyl)-3-phenyl-1-(3-phenylphenyl)prop-1-en-1-amine.

What is the SMILES notation for (Z)-N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-ylmethyl)-3-phenyl-1-(3-phenylphenyl)prop-1-en-1-amine?

The canonical SMILES for (Z)-N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-ylmethyl)-3-phenyl-1-(3-phenylphenyl)prop-1-en-1-amine is C(\Cc1ccccc1)=C(\NCc1ccc2c3cccc4c5ccccc5n(c2c1)c43)c1cccc(-c2ccccc2)c1.

What is the InChIKey of (Z)-N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-ylmethyl)-3-phenyl-1-(3-phenylphenyl)prop-1-en-1-amine?

The InChIKey is KPJHNLYTERCXSR-PNEAAFPUSA-N. The full InChI is InChI=1S/C40H30N2/c1-3-11-28(12-4-1)22-24-37(32-16-9-15-31(26-32)30-13-5-2-6-14-30)41-27-29-21-23-34-36-19-10-18-35-33-17-7-8-20-38(33)42(40(35)36)39(34)25-29/h1-21,23-26,41H,22,27H2/b37-24-.

What are the key properties of (Z)-N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-ylmethyl)-3-phenyl-1-(3-phenylphenyl)prop-1-en-1-amine?

(Z)-N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-ylmethyl)-3-phenyl-1-(3-phenylphenyl)prop-1-en-1-amine has a molecular weight of 538.69 g/mol, XLogP of 9.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-ylmethyl)-3-phenyl-1-(3-phenylphenyl)prop-1-en-1-amine is sourced from PubChem (CID 135245571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).