4-N,17-N-bis(3,5-diphenylphenyl)-20,20-dimethyl-4-N,17-N-diphenylhexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;20,20-dimethyl-4-N,17-N-diphenyl-4-N,17-N-bis(9-phenylcarbazol-4-yl)hexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine

C150H106N6 — CID 162111955

About 4-N,17-N-bis(3,5-diphenylphenyl)-20,20-dimethyl-4-N,17-N-diphenylhexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;20,20-dimethyl-4-N,17-N-diphenyl-4-N,17-N-bis(9-phenylcarbazol-4-yl)hexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine

4-N,17-N-bis(3,5-diphenylphenyl)-20,20-dimethyl-4-N,17-N-diphenylhexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;20,20-dimethyl-4-N,17-N-diphenyl-4-N,17-N-bis(9-phenylcarbazol-4-yl)hexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine (PubChem CID 162111955) has the molecular formula C150H106N6 and a molecular weight of 1992.54 g/mol. Its IUPAC name is 4-N,17-N-bis(3,5-diphenylphenyl)-20,20-dimethyl-4-N,17-N-diphenylhexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;20,20-dimethyl-4-N,17-N-diphenyl-4-N,17-N-bis(9-phenylcarbazol-4-yl)hexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine.

Molecular Properties

• Compound Name: 4-N,17-N-bis(3,5-diphenylphenyl)-20,20-dimethyl-4-N,17-N-diphenylhexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;20,20-dimethyl-4-N,17-N-diphenyl-4-N,17-N-bis(9-phenylcarbazol-4-yl)hexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
• PubChem CID: 162111955
• Molecular Formula: C150H106N6
• Molecular Weight: 1992.54 g/mol
• Exact Mass: 1990.85
• IUPAC Name: 4-N,17-N-bis(3,5-diphenylphenyl)-20,20-dimethyl-4-N,17-N-diphenylhexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;20,20-dimethyl-4-N,17-N-diphenyl-4-N,17-N-bis(9-phenylcarbazol-4-yl)hexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
• SMILES: CC1(C)c2cc(N(c3ccccc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc2-c2cc3c4ccccc4c(N(c4ccccc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3c3cccc1c23.CC1(C)c2cc(N(c3ccccc3)c3cccc4c3c3ccccc3n4-c3ccccc3)ccc2-c2cc3c4ccccc4c(N(c4ccccc4)c4cccc5c4c4ccccc4n5-c4ccccc4)cc3c3cccc1c23
• InChI: InChI=1S/C75H52N4.C75H54N2/c1-75(2)63-37-21-36-57-61-48-71(79(52-30-13-6-14-31-52)70-43-23-42-69-74(70)59-35-18-20-39-66(59)78(69)51-28-11-5-12-29-51)56-33-16-15-32-54(56)60(61)47-62(72(57)63)55-45-44-53(46-64(55)75)76(49-24-7-3-8-25-49)67-40-22-41-68-73(67)58-34-17-19-38-65(58)77(68)50-26-9-4-10-27-50;1-75(2)71-39-23-38-67-69-50-73(77(60-34-19-8-20-35-60)63-46-57(53-28-13-5-14-29-53)43-58(47-63)54-30-15-6-16-31-54)66-37-22-21-36-64(66)68(69)49-70(74(67)71)65-41-40-61(48-72(65)75)76(59-32-17-7-18-33-59)62-44-55(51-24-9-3-10-25-51)42-56(45-62)52-26-11-4-12-27-52/h3-48H,1-2H3;3-50H,1-2H3
• InChIKey: ZGGQIVCDCXIVNS-UHFFFAOYSA-N
• XLogP: 41.65
• TPSA: 22.82 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1992.54
LogP ≤ 5	41.65
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 4-N,17-N-bis(3,5-diphenylphenyl)-20,20-dimethyl-4-N,17-N-diphenylhexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;20,20-dimethyl-4-N,17-N-diphenyl-4-N,17-N-bis(9-phenylcarbazol-4-yl)hexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine?

The IUPAC name of 4-N,17-N-bis(3,5-diphenylphenyl)-20,20-dimethyl-4-N,17-N-diphenylhexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;20,20-dimethyl-4-N,17-N-diphenyl-4-N,17-N-bis(9-phenylcarbazol-4-yl)hexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine (CID 162111955) is 4-N,17-N-bis(3,5-diphenylphenyl)-20,20-dimethyl-4-N,17-N-diphenylhexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;20,20-dimethyl-4-N,17-N-diphenyl-4-N,17-N-bis(9-phenylcarbazol-4-yl)hexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine.

What is the SMILES notation for 4-N,17-N-bis(3,5-diphenylphenyl)-20,20-dimethyl-4-N,17-N-diphenylhexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;20,20-dimethyl-4-N,17-N-diphenyl-4-N,17-N-bis(9-phenylcarbazol-4-yl)hexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine?

The canonical SMILES for 4-N,17-N-bis(3,5-diphenylphenyl)-20,20-dimethyl-4-N,17-N-diphenylhexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;20,20-dimethyl-4-N,17-N-diphenyl-4-N,17-N-bis(9-phenylcarbazol-4-yl)hexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine is CC1(C)c2cc(N(c3ccccc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc2-c2cc3c4ccccc4c(N(c4ccccc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3c3cccc1c23.CC1(C)c2cc(N(c3ccccc3)c3cccc4c3c3ccccc3n4-c3ccccc3)ccc2-c2cc3c4ccccc4c(N(c4ccccc4)c4cccc5c4c4ccccc4n5-c4ccccc4)cc3c3cccc1c23.

What is the InChIKey of 4-N,17-N-bis(3,5-diphenylphenyl)-20,20-dimethyl-4-N,17-N-diphenylhexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;20,20-dimethyl-4-N,17-N-diphenyl-4-N,17-N-bis(9-phenylcarbazol-4-yl)hexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine?

The InChIKey is ZGGQIVCDCXIVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H52N4.C75H54N2/c1-75(2)63-37-21-36-57-61-48-71(79(52-30-13-6-14-31-52)70-43-23-42-69-74(70)59-35-18-20-39-66(59)78(69)51-28-11-5-12-29-51)56-33-16-15-32-54(56)60(61)47-62(72(57)63)55-45-44-53(46-64(55)75)76(49-24-7-3-8-25-49)67-40-22-41-68-73(67)58-34-17-19-38-65(58)77(68)50-26-9-4-10-27-50;1-75(2)71-39-23-38-67-69-50-73(77(60-34-19-8-20-35-60)63-46-57(53-28-13-5-14-29-53)43-58(47-63)54-30-15-6-16-31-54)66-37-22-21-36-64(66)68(69)49-70(74(67)71)65-41-40-61(48-72(65)75)76(59-32-17-7-18-33-59)62-44-55(51-24-9-3-10-25-51)42-56(45-62)52-26-11-4-12-27-52/h3-48H,1-2H3;3-50H,1-2H3.

What are the key properties of 4-N,17-N-bis(3,5-diphenylphenyl)-20,20-dimethyl-4-N,17-N-diphenylhexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;20,20-dimethyl-4-N,17-N-diphenyl-4-N,17-N-bis(9-phenylcarbazol-4-yl)hexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine?

4-N,17-N-bis(3,5-diphenylphenyl)-20,20-dimethyl-4-N,17-N-diphenylhexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;20,20-dimethyl-4-N,17-N-diphenyl-4-N,17-N-bis(9-phenylcarbazol-4-yl)hexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine has a molecular weight of 1992.54 g/mol, XLogP of 41.65, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N,17-N-bis(3,5-diphenylphenyl)-20,20-dimethyl-4-N,17-N-diphenylhexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;20,20-dimethyl-4-N,17-N-diphenyl-4-N,17-N-bis(9-phenylcarbazol-4-yl)hexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine is sourced from PubChem (CID 162111955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).