N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-(2-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

C42H35FN2 — CID 70892967

About N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-(2-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-(2-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (PubChem CID 70892967) has the molecular formula C42H35FN2 and a molecular weight of 586.75 g/mol. Its IUPAC name is N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-(2-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.

Molecular Properties

• Compound Name: N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-(2-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
• PubChem CID: 70892967
• Molecular Formula: C42H35FN2
• Molecular Weight: 586.75 g/mol
• Exact Mass: 586.28
• IUPAC Name: N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-(2-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
• SMILES: CC1(C)c2ccccc2N2c3ccc(N(c4ccc(F)cc4)c4ccccc4-c4ccccc4)cc3C(C)(C)c3cccc1c32
• InChI: InChI=1S/C42H35FN2/c1-41(2)33-16-9-11-20-38(33)45-39-26-25-31(27-36(39)42(3,4)35-18-12-17-34(41)40(35)45)44(30-23-21-29(43)22-24-30)37-19-10-8-15-32(37)28-13-6-5-7-14-28/h5-27H,1-4H3
• InChIKey: AUVAJNAENNUFIS-UHFFFAOYSA-N
• XLogP: 11.71
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.75
LogP ≤ 5	11.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-(2-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

The IUPAC name of N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-(2-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (CID 70892967) is N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-(2-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.

What is the SMILES notation for N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-(2-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

The canonical SMILES for N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-(2-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is CC1(C)c2ccccc2N2c3ccc(N(c4ccc(F)cc4)c4ccccc4-c4ccccc4)cc3C(C)(C)c3cccc1c32.

What is the InChIKey of N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-(2-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

The InChIKey is AUVAJNAENNUFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H35FN2/c1-41(2)33-16-9-11-20-38(33)45-39-26-25-31(27-36(39)42(3,4)35-18-12-17-34(41)40(35)45)44(30-23-21-29(43)22-24-30)37-19-10-8-15-32(37)28-13-6-5-7-14-28/h5-27H,1-4H3.

What are the key properties of N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-(2-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-(2-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine has a molecular weight of 586.75 g/mol, XLogP of 11.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluorophenyl)-8,8,14,14-tetramethyl-N-(2-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is sourced from PubChem (CID 70892967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).