18-N-(2-cyclohexylphenyl)-18-N-(9H-fluoren-2-yl)-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine

C56H50N2 — CID 171404241

About 18-N-(2-cyclohexylphenyl)-18-N-(9H-fluoren-2-yl)-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine

18-N-(2-cyclohexylphenyl)-18-N-(9H-fluoren-2-yl)-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine (PubChem CID 171404241) has the molecular formula C56H50N2 and a molecular weight of 751.03 g/mol. Its IUPAC name is 18-N-(2-cyclohexylphenyl)-18-N-(9H-fluoren-2-yl)-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine.

Molecular Properties

• Compound Name: 18-N-(2-cyclohexylphenyl)-18-N-(9H-fluoren-2-yl)-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
• PubChem CID: 171404241
• Molecular Formula: C56H50N2
• Molecular Weight: 751.03 g/mol
• Exact Mass: 750.40
• IUPAC Name: 18-N-(2-cyclohexylphenyl)-18-N-(9H-fluoren-2-yl)-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
• SMILES: c1ccc(N(c2ccccc2)c2cccc3c2C24c5c(cccc5N(c5ccc6c(c5)Cc5ccccc5-6)c5ccccc5C5CCCCC5)CC2CCC4C3)cc1
• InChI: InChI=1S/C56H50N2/c1-4-16-38(17-5-1)50-26-12-13-27-51(50)58(47-32-33-49-42(37-47)34-39-18-10-11-25-48(39)49)53-29-15-20-41-36-44-31-30-43-35-40-19-14-28-52(54(40)56(43,44)55(41)53)57(45-21-6-2-7-22-45)46-23-8-3-9-24-46/h2-3,6-15,18-29,32-33,37-38,43-44H,1,4-5,16-17,30-31,34-36H2
• InChIKey: LIMYNHXNWSUELT-UHFFFAOYSA-N
• XLogP: 14.67
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	751.03
LogP ≤ 5	14.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 18-N-(2-cyclohexylphenyl)-18-N-(9H-fluoren-2-yl)-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine (CID 171404241) is 18-N-(2-cyclohexylphenyl)-18-N-(9H-fluoren-2-yl)-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine.

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

The canonical SMILES for 18-N-(2-cyclohexylphenyl)-18-N-(9H-fluoren-2-yl)-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine is c1ccc(N(c2ccccc2)c2cccc3c2C24c5c(cccc5N(c5ccc6c(c5)Cc5ccccc5-6)c5ccccc5C5CCCCC5)CC2CCC4C3)cc1.

What is the InChIKey of 18-N-(2-cyclohexylphenyl)-18-N-(9H-fluoren-2-yl)-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine?

The InChIKey is LIMYNHXNWSUELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H50N2/c1-4-16-38(17-5-1)50-26-12-13-27-51(50)58(47-32-33-49-42(37-47)34-39-18-10-11-25-48(39)49)53-29-15-20-41-36-44-31-30-43-35-40-19-14-28-52(54(40)56(43,44)55(41)53)57(45-21-6-2-7-22-45)46-23-8-3-9-24-46/h2-3,6-15,18-29,32-33,37-38,43-44H,1,4-5,16-17,30-31,34-36H2.

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

18-N-(2-cyclohexylphenyl)-18-N-(9H-fluoren-2-yl)-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine has a molecular weight of 751.03 g/mol, XLogP of 14.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 18-N-(2-cyclohexylphenyl)-18-N-(9H-fluoren-2-yl)-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine is sourced from PubChem (CID 171404241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).