N-(4-methoxyphenyl)-13,13-dimethyl-N-[(2E,4Z)-6-phenylhexa-2,4-dien-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine

C40H36N2O — CID 143983313

About N-(4-methoxyphenyl)-13,13-dimethyl-N-[(2E,4Z)-6-phenylhexa-2,4-dien-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine

N-(4-methoxyphenyl)-13,13-dimethyl-N-[(2E,4Z)-6-phenylhexa-2,4-dien-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine (PubChem CID 143983313) has the molecular formula C40H36N2O and a molecular weight of 560.74 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-13,13-dimethyl-N-[(2E,4Z)-6-phenylhexa-2,4-dien-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine.

Molecular Properties

• Compound Name: N-(4-methoxyphenyl)-13,13-dimethyl-N-[(2E,4Z)-6-phenylhexa-2,4-dien-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
• PubChem CID: 143983313
• Molecular Formula: C40H36N2O
• Molecular Weight: 560.74 g/mol
• Exact Mass: 560.28
• IUPAC Name: N-(4-methoxyphenyl)-13,13-dimethyl-N-[(2E,4Z)-6-phenylhexa-2,4-dien-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
• SMILES: C/C=C(\C=C/Cc1ccccc1)N(c1ccc(OC)cc1)c1ccc2c(c1)c1cccc3c1n2-c1ccccc1C3(C)C
• InChI: InChI=1S/C40H36N2O/c1-5-29(16-11-15-28-13-7-6-8-14-28)41(30-21-24-32(43-4)25-22-30)31-23-26-37-34(27-31)33-17-12-19-36-39(33)42(37)38-20-10-9-18-35(38)40(36,2)3/h5-14,16-27H,15H2,1-4H3/b16-11-,29-5+
• InChIKey: DVHAMWJQYJPAME-XSHXFNNCSA-N
• XLogP: 10.27
• TPSA: 17.40 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.74
LogP ≤ 5	10.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-13,13-dimethyl-N-[(2E,4Z)-6-phenylhexa-2,4-dien-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine?

The IUPAC name of N-(4-methoxyphenyl)-13,13-dimethyl-N-[(2E,4Z)-6-phenylhexa-2,4-dien-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine (CID 143983313) is N-(4-methoxyphenyl)-13,13-dimethyl-N-[(2E,4Z)-6-phenylhexa-2,4-dien-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine.

What is the SMILES notation for N-(4-methoxyphenyl)-13,13-dimethyl-N-[(2E,4Z)-6-phenylhexa-2,4-dien-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine?

The canonical SMILES for N-(4-methoxyphenyl)-13,13-dimethyl-N-[(2E,4Z)-6-phenylhexa-2,4-dien-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine is C/C=C(\C=C/Cc1ccccc1)N(c1ccc(OC)cc1)c1ccc2c(c1)c1cccc3c1n2-c1ccccc1C3(C)C.

What is the InChIKey of N-(4-methoxyphenyl)-13,13-dimethyl-N-[(2E,4Z)-6-phenylhexa-2,4-dien-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine?

The InChIKey is DVHAMWJQYJPAME-XSHXFNNCSA-N. The full InChI is InChI=1S/C40H36N2O/c1-5-29(16-11-15-28-13-7-6-8-14-28)41(30-21-24-32(43-4)25-22-30)31-23-26-37-34(27-31)33-17-12-19-36-39(33)42(37)38-20-10-9-18-35(38)40(36,2)3/h5-14,16-27H,15H2,1-4H3/b16-11-,29-5+.

What are the key properties of N-(4-methoxyphenyl)-13,13-dimethyl-N-[(2E,4Z)-6-phenylhexa-2,4-dien-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine?

N-(4-methoxyphenyl)-13,13-dimethyl-N-[(2E,4Z)-6-phenylhexa-2,4-dien-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine has a molecular weight of 560.74 g/mol, XLogP of 10.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methoxyphenyl)-13,13-dimethyl-N-[(2E,4Z)-6-phenylhexa-2,4-dien-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine is sourced from PubChem (CID 143983313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).