N,N-bis[4-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)phenyl]-4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)naphthalen-1-amine

C90H88N4 — CID 90201517

About N,N-bis[4-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)phenyl]-4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)naphthalen-1-amine

N,N-bis[4-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)phenyl]-4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)naphthalen-1-amine (PubChem CID 90201517) has the molecular formula C90H88N4 and a molecular weight of 1225.72 g/mol. Its IUPAC name is N,N-bis[4-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)phenyl]-4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)naphthalen-1-amine.

Molecular Properties

• Compound Name: N,N-bis[4-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)phenyl]-4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)naphthalen-1-amine
• PubChem CID: 90201517
• Molecular Formula: C90H88N4
• Molecular Weight: 1225.72 g/mol
• Exact Mass: 1224.70
• IUPAC Name: N,N-bis[4-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)phenyl]-4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)naphthalen-1-amine
• SMILES: CC1(C)CCN2CCC(C)(C)c3cc(-c4ccc(N(c5ccc(-c6cc7c8c(c6)C(C)(C)CCN8CCC7(C)C)cc5)c5ccc(-c6cc7c8c(c6)C(C)(C)c6cc(-c9ccccc9)ccc6N8c6ccc(-c8ccccc8)cc6C7(C)C)c6ccccc56)cc4)cc1c32
• InChI: InChI=1S/C90H88N4/c1-85(2)41-45-91-46-42-86(3,4)74-52-63(51-73(85)82(74)91)59-27-33-66(34-28-59)93(67-35-29-60(30-36-67)64-53-75-83-76(54-64)88(7,8)44-48-92(83)47-43-87(75,5)6)79-40-37-68(69-25-19-20-26-70(69)79)65-55-77-84-78(56-65)90(11,12)72-50-62(58-23-17-14-18-24-58)32-39-81(72)94(84)80-38-31-61(49-71(80)89(77,9)10)57-21-15-13-16-22-57/h13-40,49-56H,41-48H2,1-12H3
• InChIKey: NMYPTZGKQKUKEI-UHFFFAOYSA-N
• XLogP: 23.73
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1225.72
LogP ≤ 5	23.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)phenyl]-4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)naphthalen-1-amine?

The IUPAC name of N,N-bis[4-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)phenyl]-4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)naphthalen-1-amine (CID 90201517) is N,N-bis[4-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)phenyl]-4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)naphthalen-1-amine.

What is the SMILES notation for N,N-bis[4-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)phenyl]-4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)naphthalen-1-amine?

The canonical SMILES for N,N-bis[4-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)phenyl]-4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)naphthalen-1-amine is CC1(C)CCN2CCC(C)(C)c3cc(-c4ccc(N(c5ccc(-c6cc7c8c(c6)C(C)(C)CCN8CCC7(C)C)cc5)c5ccc(-c6cc7c8c(c6)C(C)(C)c6cc(-c9ccccc9)ccc6N8c6ccc(-c8ccccc8)cc6C7(C)C)c6ccccc56)cc4)cc1c32.

What is the InChIKey of N,N-bis[4-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)phenyl]-4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)naphthalen-1-amine?

The InChIKey is NMYPTZGKQKUKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H88N4/c1-85(2)41-45-91-46-42-86(3,4)74-52-63(51-73(85)82(74)91)59-27-33-66(34-28-59)93(67-35-29-60(30-36-67)64-53-75-83-76(54-64)88(7,8)44-48-92(83)47-43-87(75,5)6)79-40-37-68(69-25-19-20-26-70(69)79)65-55-77-84-78(56-65)90(11,12)72-50-62(58-23-17-14-18-24-58)32-39-81(72)94(84)80-38-31-61(49-71(80)89(77,9)10)57-21-15-13-16-22-57/h13-40,49-56H,41-48H2,1-12H3.

What are the key properties of N,N-bis[4-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)phenyl]-4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)naphthalen-1-amine?

N,N-bis[4-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)phenyl]-4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)naphthalen-1-amine has a molecular weight of 1225.72 g/mol, XLogP of 23.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis[4-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)phenyl]-4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)naphthalen-1-amine is sourced from PubChem (CID 90201517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).