N-(2-cyclohexylphenyl)-18-[9H-fluoren-2-yl(phenyl)methyl]-N-phenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine

C57H51N — CID 171404227

About N-(2-cyclohexylphenyl)-18-[9H-fluoren-2-yl(phenyl)methyl]-N-phenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine

N-(2-cyclohexylphenyl)-18-[9H-fluoren-2-yl(phenyl)methyl]-N-phenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine (PubChem CID 171404227) has the molecular formula C57H51N and a molecular weight of 750.04 g/mol. Its IUPAC name is N-(2-cyclohexylphenyl)-18-[9H-fluoren-2-yl(phenyl)methyl]-N-phenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine.

Molecular Properties

• Compound Name: N-(2-cyclohexylphenyl)-18-[9H-fluoren-2-yl(phenyl)methyl]-N-phenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine
• PubChem CID: 171404227
• Molecular Formula: C57H51N
• Molecular Weight: 750.04 g/mol
• Exact Mass: 749.40
• IUPAC Name: N-(2-cyclohexylphenyl)-18-[9H-fluoren-2-yl(phenyl)methyl]-N-phenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine
• SMILES: c1ccc(C(c2ccc3c(c2)Cc2ccccc2-3)c2cccc3c2C24c5c(cccc5N(c5ccccc5)c5ccccc5C5CCCCC5)CC2CCC4C3)cc1
• InChI: InChI=1S/C57H51N/c1-4-16-38(17-5-1)50-26-12-13-28-52(50)58(47-23-8-3-9-24-47)53-29-15-22-43-37-46-32-31-45-36-42-21-14-27-51(55(42)57(45,46)56(43)53)54(39-18-6-2-7-19-39)41-30-33-49-44(35-41)34-40-20-10-11-25-48(40)49/h2-3,6-15,18-30,33,35,38,45-46,54H,1,4-5,16-17,31-32,34,36-37H2
• InChIKey: QWYGUFZDEPYQQQ-UHFFFAOYSA-N
• XLogP: 14.38
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.04
LogP ≤ 5	14.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylphenyl)-18-[9H-fluoren-2-yl(phenyl)methyl]-N-phenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine?

The IUPAC name of N-(2-cyclohexylphenyl)-18-[9H-fluoren-2-yl(phenyl)methyl]-N-phenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine (CID 171404227) is N-(2-cyclohexylphenyl)-18-[9H-fluoren-2-yl(phenyl)methyl]-N-phenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine.

What is the SMILES notation for N-(2-cyclohexylphenyl)-18-[9H-fluoren-2-yl(phenyl)methyl]-N-phenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine?

The canonical SMILES for N-(2-cyclohexylphenyl)-18-[9H-fluoren-2-yl(phenyl)methyl]-N-phenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine is c1ccc(C(c2ccc3c(c2)Cc2ccccc2-3)c2cccc3c2C24c5c(cccc5N(c5ccccc5)c5ccccc5C5CCCCC5)CC2CCC4C3)cc1.

What is the InChIKey of N-(2-cyclohexylphenyl)-18-[9H-fluoren-2-yl(phenyl)methyl]-N-phenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine?

The InChIKey is QWYGUFZDEPYQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H51N/c1-4-16-38(17-5-1)50-26-12-13-28-52(50)58(47-23-8-3-9-24-47)53-29-15-22-43-37-46-32-31-45-36-42-21-14-27-51(55(42)57(45,46)56(43)53)54(39-18-6-2-7-19-39)41-30-33-49-44(35-41)34-40-20-10-11-25-48(40)49/h2-3,6-15,18-30,33,35,38,45-46,54H,1,4-5,16-17,31-32,34,36-37H2.

What are the key properties of N-(2-cyclohexylphenyl)-18-[9H-fluoren-2-yl(phenyl)methyl]-N-phenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine?

N-(2-cyclohexylphenyl)-18-[9H-fluoren-2-yl(phenyl)methyl]-N-phenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine has a molecular weight of 750.04 g/mol, XLogP of 14.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-cyclohexylphenyl)-18-[9H-fluoren-2-yl(phenyl)methyl]-N-phenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine is sourced from PubChem (CID 171404227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).