N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-12-naphthalen-2-yl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)-15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4(9),7,12,17,19(24),20,22,26-undecaen-22-amine

C77H61NO — CID 146436723

About N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-12-naphthalen-2-yl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)-15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4(9),7,12,17,19(24),20,22,26-undecaen-22-amine

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-12-naphthalen-2-yl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)-15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4(9),7,12,17,19(24),20,22,26-undecaen-22-amine (PubChem CID 146436723) has the molecular formula C77H61NO and a molecular weight of 1016.34 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-12-naphthalen-2-yl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)-15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4(9),7,12,17,19(24),20,22,26-undecaen-22-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-12-naphthalen-2-yl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)-15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4(9),7,12,17,19(24),20,22,26-undecaen-22-amine
• PubChem CID: 146436723
• Molecular Formula: C77H61NO
• Molecular Weight: 1016.34 g/mol
• Exact Mass: 1015.48
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-12-naphthalen-2-yl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)-15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4(9),7,12,17,19(24),20,22,26-undecaen-22-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3ccc4oc6c(c4c3-5)CCC=C6)c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6ccccc6c5)c5c(c3-4)-c3ccccc3C5)cc21
• InChI: InChI=1S/C77H61NO/c1-74(2)60-23-15-13-21-51(60)52-30-27-47(37-62(52)74)78(48-28-31-53-57-41-66-59(42-65(57)76(5,6)63(53)38-48)72-61(75(66,3)4)33-34-69-73(72)55-22-14-16-24-68(55)79-69)49-29-32-54-64(39-49)77(7,8)67-40-56(46-26-25-43-17-9-10-18-44(43)35-46)58-36-45-19-11-12-20-50(45)70(58)71(54)67/h9-13,15-21,23-35,37-42H,14,22,36H2,1-8H3
• InChIKey: QQHGSIIACGZJAE-UHFFFAOYSA-N
• XLogP: 20.48
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1016.34
LogP ≤ 5	20.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-12-naphthalen-2-yl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)-15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4(9),7,12,17,19(24),20,22,26-undecaen-22-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-12-naphthalen-2-yl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)-15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4(9),7,12,17,19(24),20,22,26-undecaen-22-amine (CID 146436723) is N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-12-naphthalen-2-yl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)-15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4(9),7,12,17,19(24),20,22,26-undecaen-22-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-12-naphthalen-2-yl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)-15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4(9),7,12,17,19(24),20,22,26-undecaen-22-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-12-naphthalen-2-yl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)-15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4(9),7,12,17,19(24),20,22,26-undecaen-22-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3ccc4oc6c(c4c3-5)CCC=C6)c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6ccccc6c5)c5c(c3-4)-c3ccccc3C5)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-12-naphthalen-2-yl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)-15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4(9),7,12,17,19(24),20,22,26-undecaen-22-amine?

The InChIKey is QQHGSIIACGZJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H61NO/c1-74(2)60-23-15-13-21-51(60)52-30-27-47(37-62(52)74)78(48-28-31-53-57-41-66-59(42-65(57)76(5,6)63(53)38-48)72-61(75(66,3)4)33-34-69-73(72)55-22-14-16-24-68(55)79-69)49-29-32-54-64(39-49)77(7,8)67-40-56(46-26-25-43-17-9-10-18-44(43)35-46)58-36-45-19-11-12-20-50(45)70(58)71(54)67/h9-13,15-21,23-35,37-42H,14,22,36H2,1-8H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-12-naphthalen-2-yl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)-15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4(9),7,12,17,19(24),20,22,26-undecaen-22-amine?

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-12-naphthalen-2-yl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)-15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4(9),7,12,17,19(24),20,22,26-undecaen-22-amine has a molecular weight of 1016.34 g/mol, XLogP of 20.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-12-naphthalen-2-yl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)-15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4(9),7,12,17,19(24),20,22,26-undecaen-22-amine is sourced from PubChem (CID 146436723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).