N-(3,5-dimethylphenyl)-13,13-dimethyl-N-(4-phenylphenyl)-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

C41H34N2 — CID 70893054

About N-(3,5-dimethylphenyl)-13,13-dimethyl-N-(4-phenylphenyl)-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-(3,5-dimethylphenyl)-13,13-dimethyl-N-(4-phenylphenyl)-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 70893054) has the molecular formula C41H34N2 and a molecular weight of 554.74 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-13,13-dimethyl-N-(4-phenylphenyl)-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-(3,5-dimethylphenyl)-13,13-dimethyl-N-(4-phenylphenyl)-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: 70893054
• Molecular Formula: C41H34N2
• Molecular Weight: 554.74 g/mol
• Exact Mass: 554.27
• IUPAC Name: N-(3,5-dimethylphenyl)-13,13-dimethyl-N-(4-phenylphenyl)-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: Cc1cc(C)cc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)c2cccc4c2n3-c2ccccc2C4(C)C)c1
• InChI: InChI=1S/C41H34N2/c1-27-23-28(2)25-33(24-27)42(31-19-17-30(18-20-31)29-11-6-5-7-12-29)32-21-22-38-35(26-32)34-13-10-15-37-40(34)43(38)39-16-9-8-14-36(39)41(37,3)4/h5-26H,1-4H3
• InChIKey: QIPFNWSVOQSCQD-UHFFFAOYSA-N
• XLogP: 11.18
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.74
LogP ≤ 5	11.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-13,13-dimethyl-N-(4-phenylphenyl)-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-(3,5-dimethylphenyl)-13,13-dimethyl-N-(4-phenylphenyl)-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 70893054) is N-(3,5-dimethylphenyl)-13,13-dimethyl-N-(4-phenylphenyl)-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-(3,5-dimethylphenyl)-13,13-dimethyl-N-(4-phenylphenyl)-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-(3,5-dimethylphenyl)-13,13-dimethyl-N-(4-phenylphenyl)-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 Cc1cc(C)cc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)c2cccc4c2n3-c2ccccc2C4(C)C)c1.

What is the InChIKey of N-(3,5-dimethylphenyl)-13,13-dimethyl-N-(4-phenylphenyl)-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 QIPFNWSVOQSCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H34N2/c1-27-23-28(2)25-33(24-27)42(31-19-17-30(18-20-31)29-11-6-5-7-12-29)32-21-22-38-35(26-32)34-13-10-15-37-40(34)43(38)39-16-9-8-14-36(39)41(37,3)4/h5-26H,1-4H3.

What are the key properties of N-(3,5-dimethylphenyl)-13,13-dimethyl-N-(4-phenylphenyl)-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-(3,5-dimethylphenyl)-13,13-dimethyl-N-(4-phenylphenyl)-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 554.74 g/mol, XLogP of 11.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethylphenyl)-13,13-dimethyl-N-(4-phenylphenyl)-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 70893054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).