14,14-dimethyl-2-N,9-N-diphenyl-2-N,9-N-bis(4-phenylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;4,14,14-trimethyl-2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine

C118H96N4 — CID 158126615

About 14,14-dimethyl-2-N,9-N-diphenyl-2-N,9-N-bis(4-phenylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;4,14,14-trimethyl-2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine

14,14-dimethyl-2-N,9-N-diphenyl-2-N,9-N-bis(4-phenylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;4,14,14-trimethyl-2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine (PubChem CID 158126615) has the molecular formula C118H96N4 and a molecular weight of 1570.09 g/mol. Its IUPAC name is 14,14-dimethyl-2-N,9-N-diphenyl-2-N,9-N-bis(4-phenylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;4,14,14-trimethyl-2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine.

Molecular Properties

• Compound Name: 14,14-dimethyl-2-N,9-N-diphenyl-2-N,9-N-bis(4-phenylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;4,14,14-trimethyl-2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine
• PubChem CID: 158126615
• Molecular Formula: C118H96N4
• Molecular Weight: 1570.09 g/mol
• Exact Mass: 1568.76
• IUPAC Name: 14,14-dimethyl-2-N,9-N-diphenyl-2-N,9-N-bis(4-phenylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;4,14,14-trimethyl-2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine
• SMILES: CC(C)c1cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c2cc3c4c(cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)c5ccc1c2c54)CCC3(C)C.Cc1cc(N(c2ccccc2)c2cccc(-c3ccccc3)c2)c2cc3c4c(cc(N(c5ccccc5)c5cccc(-c6ccccc6)c5)c5ccc1c2c54)CCC3(C)C
• InChI: InChI=1S/C60H50N2.C58H46N2/c1-40(2)52-39-56(62(47-23-15-8-16-24-47)49-31-27-44(28-32-49)42-19-11-6-12-20-42)53-38-54-57-45(35-36-60(54,3)4)37-55(51-34-33-50(52)58(53)59(51)57)61(46-21-13-7-14-22-46)48-29-25-43(26-30-48)41-17-9-5-10-18-41;1-39-34-53(59(45-24-12-6-13-25-45)47-28-16-22-42(35-47)40-18-8-4-9-19-40)51-38-52-55-44(32-33-58(52,2)3)37-54(50-31-30-49(39)56(51)57(50)55)60(46-26-14-7-15-27-46)48-29-17-23-43(36-48)41-20-10-5-11-21-41/h5-34,37-40H,35-36H2,1-4H3;4-31,34-38H,32-33H2,1-3H3
• InChIKey: FSGGHXCQHHGIJS-UHFFFAOYSA-N
• XLogP: 33.59
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1570.09
LogP ≤ 5	33.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 14,14-dimethyl-2-N,9-N-diphenyl-2-N,9-N-bis(4-phenylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;4,14,14-trimethyl-2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine?

The IUPAC name of 14,14-dimethyl-2-N,9-N-diphenyl-2-N,9-N-bis(4-phenylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;4,14,14-trimethyl-2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine (CID 158126615) is 14,14-dimethyl-2-N,9-N-diphenyl-2-N,9-N-bis(4-phenylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;4,14,14-trimethyl-2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine.

What is the SMILES notation for 14,14-dimethyl-2-N,9-N-diphenyl-2-N,9-N-bis(4-phenylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;4,14,14-trimethyl-2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine?

The canonical SMILES for 14,14-dimethyl-2-N,9-N-diphenyl-2-N,9-N-bis(4-phenylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;4,14,14-trimethyl-2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine is CC(C)c1cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c2cc3c4c(cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)c5ccc1c2c54)CCC3(C)C.Cc1cc(N(c2ccccc2)c2cccc(-c3ccccc3)c2)c2cc3c4c(cc(N(c5ccccc5)c5cccc(-c6ccccc6)c5)c5ccc1c2c54)CCC3(C)C.

What is the InChIKey of 14,14-dimethyl-2-N,9-N-diphenyl-2-N,9-N-bis(4-phenylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;4,14,14-trimethyl-2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine?

The InChIKey is FSGGHXCQHHGIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H50N2.C58H46N2/c1-40(2)52-39-56(62(47-23-15-8-16-24-47)49-31-27-44(28-32-49)42-19-11-6-12-20-42)53-38-54-57-45(35-36-60(54,3)4)37-55(51-34-33-50(52)58(53)59(51)57)61(46-21-13-7-14-22-46)48-29-25-43(26-30-48)41-17-9-5-10-18-41;1-39-34-53(59(45-24-12-6-13-25-45)47-28-16-22-42(35-47)40-18-8-4-9-19-40)51-38-52-55-44(32-33-58(52,2)3)37-54(50-31-30-49(39)56(51)57(50)55)60(46-26-14-7-15-27-46)48-29-17-23-43(36-48)41-20-10-5-11-21-41/h5-34,37-40H,35-36H2,1-4H3;4-31,34-38H,32-33H2,1-3H3.

What are the key properties of 14,14-dimethyl-2-N,9-N-diphenyl-2-N,9-N-bis(4-phenylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;4,14,14-trimethyl-2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine?

14,14-dimethyl-2-N,9-N-diphenyl-2-N,9-N-bis(4-phenylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;4,14,14-trimethyl-2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine has a molecular weight of 1570.09 g/mol, XLogP of 33.59, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 14,14-dimethyl-2-N,9-N-diphenyl-2-N,9-N-bis(4-phenylphenyl)-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;4,14,14-trimethyl-2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine is sourced from PubChem (CID 158126615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).