2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-2-N,9-N-bis(4-methylphenyl)-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;2-N,9-N-bis(2,6-dimethylphenyl)-4-ethyl-14,14-dimethyl-2-N,9-N-diphenylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine;4-ethyl-14,14-dimethyl-2-N,9-N-bis(4-propan-2-ylphenyl)-2-N,9-N-bis(2,4,6-trimethylphenyl)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

C164H166N6 — CID 160640110

About 2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-2-N,9-N-bis(4-methylphenyl)-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;2-N,9-N-bis(2,6-dimethylphenyl)-4-ethyl-14,14-dimethyl-2-N,9-N-diphenylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine;4-ethyl-14,14-dimethyl-2-N,9-N-bis(4-propan-2-ylphenyl)-2-N,9-N-bis(2,4,6-trimethylphenyl)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

2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-2-N,9-N-bis(4-methylphenyl)-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;2-N,9-N-bis(2,6-dimethylphenyl)-4-ethyl-14,14-dimethyl-2-N,9-N-diphenylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine;4-ethyl-14,14-dimethyl-2-N,9-N-bis(4-propan-2-ylphenyl)-2-N,9-N-bis(2,4,6-trimethylphenyl)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 160640110) has the molecular formula C164H166N6 and a molecular weight of 2221.17 g/mol. Its IUPAC name is 2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-2-N,9-N-bis(4-methylphenyl)-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;2-N,9-N-bis(2,6-dimethylphenyl)-4-ethyl-14,14-dimethyl-2-N,9-N-diphenylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine;4-ethyl-14,14-dimethyl-2-N,9-N-bis(4-propan-2-ylphenyl)-2-N,9-N-bis(2,4,6-trimethylphenyl)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: 2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-2-N,9-N-bis(4-methylphenyl)-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;2-N,9-N-bis(2,6-dimethylphenyl)-4-ethyl-14,14-dimethyl-2-N,9-N-diphenylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine;4-ethyl-14,14-dimethyl-2-N,9-N-bis(4-propan-2-ylphenyl)-2-N,9-N-bis(2,4,6-trimethylphenyl)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: 160640110
• Molecular Formula: C164H166N6
• Molecular Weight: 2221.17 g/mol
• Exact Mass: 2219.32
• IUPAC Name: 2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-2-N,9-N-bis(4-methylphenyl)-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;2-N,9-N-bis(2,6-dimethylphenyl)-4-ethyl-14,14-dimethyl-2-N,9-N-diphenylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine;4-ethyl-14,14-dimethyl-2-N,9-N-bis(4-propan-2-ylphenyl)-2-N,9-N-bis(2,4,6-trimethylphenyl)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: CCc1cc(N(c2ccc(C(C)C)cc2)c2c(C)cc(C)cc2C)c2cc3c4c(cc(N(c5ccc(C(C)C)cc5)c5c(C)cc(C)cc5C)c5ccc1c2c54)CCC3(C)C.CCc1cc(N(c2ccccc2)c2c(C)cccc2C)c2cc3c4c(cc(N(c5ccccc5)c5c(C)cccc5C)c5ccc1c2c54)CCC3(C)C.Cc1ccc(N(c2c(C)cccc2C)c2cc(C(C)C)c3ccc4c(N(c5ccc(C)cc5)c5c(C)cccc5C)cc5c6c(cc2c3c46)C(C)(C)CC5)cc1
• InChI: InChI=1S/C59H64N2.C54H54N2.C51H48N2/c1-14-42-31-53(61(47-21-17-44(18-22-47)35(4)5)58-40(10)29-37(7)30-41(58)11)50-33-51-54-45(25-26-59(51,12)13)32-52(49-24-23-48(42)55(50)56(49)54)60(46-19-15-43(16-20-46)34(2)3)57-38(8)27-36(6)28-39(57)9;1-32(2)44-31-48(56(41-23-19-34(4)20-24-41)53-37(7)15-12-16-38(53)8)45-30-46-49-39(27-28-54(46,9)10)29-47(43-26-25-42(44)50(45)51(43)49)55(40-21-17-33(3)18-22-40)52-35(5)13-11-14-36(52)6;1-8-36-29-45(53(39-23-13-10-14-24-39)50-34(4)19-16-20-35(50)5)42-31-43-46-37(27-28-51(43,6)7)30-44(41-26-25-40(36)47(42)48(41)46)52(38-21-11-9-12-22-38)49-32(2)17-15-18-33(49)3/h15-24,27-35H,14,25-26H2,1-13H3;11-26,29-32H,27-28H2,1-10H3;9-26,29-31H,8,27-28H2,1-7H3
• InChIKey: RJBJBFADFNHACD-UHFFFAOYSA-N
• XLogP: 47.67
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 23
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2221.17
LogP ≤ 5	47.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-2-N,9-N-bis(4-methylphenyl)-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;2-N,9-N-bis(2,6-dimethylphenyl)-4-ethyl-14,14-dimethyl-2-N,9-N-diphenylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine;4-ethyl-14,14-dimethyl-2-N,9-N-bis(4-propan-2-ylphenyl)-2-N,9-N-bis(2,4,6-trimethylphenyl)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 2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-2-N,9-N-bis(4-methylphenyl)-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;2-N,9-N-bis(2,6-dimethylphenyl)-4-ethyl-14,14-dimethyl-2-N,9-N-diphenylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine;4-ethyl-14,14-dimethyl-2-N,9-N-bis(4-propan-2-ylphenyl)-2-N,9-N-bis(2,4,6-trimethylphenyl)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 160640110) is 2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-2-N,9-N-bis(4-methylphenyl)-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;2-N,9-N-bis(2,6-dimethylphenyl)-4-ethyl-14,14-dimethyl-2-N,9-N-diphenylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine;4-ethyl-14,14-dimethyl-2-N,9-N-bis(4-propan-2-ylphenyl)-2-N,9-N-bis(2,4,6-trimethylphenyl)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 2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-2-N,9-N-bis(4-methylphenyl)-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;2-N,9-N-bis(2,6-dimethylphenyl)-4-ethyl-14,14-dimethyl-2-N,9-N-diphenylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine;4-ethyl-14,14-dimethyl-2-N,9-N-bis(4-propan-2-ylphenyl)-2-N,9-N-bis(2,4,6-trimethylphenyl)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 2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-2-N,9-N-bis(4-methylphenyl)-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;2-N,9-N-bis(2,6-dimethylphenyl)-4-ethyl-14,14-dimethyl-2-N,9-N-diphenylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine;4-ethyl-14,14-dimethyl-2-N,9-N-bis(4-propan-2-ylphenyl)-2-N,9-N-bis(2,4,6-trimethylphenyl)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 CCc1cc(N(c2ccc(C(C)C)cc2)c2c(C)cc(C)cc2C)c2cc3c4c(cc(N(c5ccc(C(C)C)cc5)c5c(C)cc(C)cc5C)c5ccc1c2c54)CCC3(C)C.CCc1cc(N(c2ccccc2)c2c(C)cccc2C)c2cc3c4c(cc(N(c5ccccc5)c5c(C)cccc5C)c5ccc1c2c54)CCC3(C)C.Cc1ccc(N(c2c(C)cccc2C)c2cc(C(C)C)c3ccc4c(N(c5ccc(C)cc5)c5c(C)cccc5C)cc5c6c(cc2c3c46)C(C)(C)CC5)cc1.

What is the InChIKey of 2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-2-N,9-N-bis(4-methylphenyl)-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;2-N,9-N-bis(2,6-dimethylphenyl)-4-ethyl-14,14-dimethyl-2-N,9-N-diphenylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine;4-ethyl-14,14-dimethyl-2-N,9-N-bis(4-propan-2-ylphenyl)-2-N,9-N-bis(2,4,6-trimethylphenyl)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 RJBJBFADFNHACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H64N2.C54H54N2.C51H48N2/c1-14-42-31-53(61(47-21-17-44(18-22-47)35(4)5)58-40(10)29-37(7)30-41(58)11)50-33-51-54-45(25-26-59(51,12)13)32-52(49-24-23-48(42)55(50)56(49)54)60(46-19-15-43(16-20-46)34(2)3)57-38(8)27-36(6)28-39(57)9;1-32(2)44-31-48(56(41-23-19-34(4)20-24-41)53-37(7)15-12-16-38(53)8)45-30-46-49-39(27-28-54(46,9)10)29-47(43-26-25-42(44)50(45)51(43)49)55(40-21-17-33(3)18-22-40)52-35(5)13-11-14-36(52)6;1-8-36-29-45(53(39-23-13-10-14-24-39)50-34(4)19-16-20-35(50)5)42-31-43-46-37(27-28-51(43,6)7)30-44(41-26-25-40(36)47(42)48(41)46)52(38-21-11-9-12-22-38)49-32(2)17-15-18-33(49)3/h15-24,27-35H,14,25-26H2,1-13H3;11-26,29-32H,27-28H2,1-10H3;9-26,29-31H,8,27-28H2,1-7H3.

What are the key properties of 2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-2-N,9-N-bis(4-methylphenyl)-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;2-N,9-N-bis(2,6-dimethylphenyl)-4-ethyl-14,14-dimethyl-2-N,9-N-diphenylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine;4-ethyl-14,14-dimethyl-2-N,9-N-bis(4-propan-2-ylphenyl)-2-N,9-N-bis(2,4,6-trimethylphenyl)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?

2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-2-N,9-N-bis(4-methylphenyl)-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;2-N,9-N-bis(2,6-dimethylphenyl)-4-ethyl-14,14-dimethyl-2-N,9-N-diphenylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine;4-ethyl-14,14-dimethyl-2-N,9-N-bis(4-propan-2-ylphenyl)-2-N,9-N-bis(2,4,6-trimethylphenyl)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 2221.17 g/mol, XLogP of 47.67, 23 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-2-N,9-N-bis(4-methylphenyl)-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;2-N,9-N-bis(2,6-dimethylphenyl)-4-ethyl-14,14-dimethyl-2-N,9-N-diphenylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine;4-ethyl-14,14-dimethyl-2-N,9-N-bis(4-propan-2-ylphenyl)-2-N,9-N-bis(2,4,6-trimethylphenyl)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 160640110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).