8,8,14,14-tetramethyl-5,17-dinaphthalen-2-yl-11-[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)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

C86H68N2 — CID 90330332

About 8,8,14,14-tetramethyl-5,17-dinaphthalen-2-yl-11-[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)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

8,8,14,14-tetramethyl-5,17-dinaphthalen-2-yl-11-[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)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (PubChem CID 90330332) has the molecular formula C86H68N2 and a molecular weight of 1129.50 g/mol. Its IUPAC name is 8,8,14,14-tetramethyl-5,17-dinaphthalen-2-yl-11-[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)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 8,8,14,14-tetramethyl-5,17-dinaphthalen-2-yl-11-[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)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
• PubChem CID: 90330332
• Molecular Formula: C86H68N2
• Molecular Weight: 1129.50 g/mol
• Exact Mass: 1128.54
• IUPAC Name: 8,8,14,14-tetramethyl-5,17-dinaphthalen-2-yl-11-[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)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
• SMILES: CC1(C)c2cc(-c3ccccc3)ccc2N2c3ccc(-c4ccccc4)cc3C(C)(C)c3cc(-c4ccc(-c5cc6c7c(c5)C(C)(C)c5cc(-c8ccc9ccccc9c8)ccc5N7c5ccc(-c7ccc8ccccc8c7)cc5C6(C)C)cc4)cc1c32
• InChI: InChI=1S/C86H68N2/c1-83(2)69-45-63(53-19-11-9-12-20-53)35-39-77(69)87-78-40-36-64(54-21-13-10-14-22-54)46-70(78)84(3,4)74-50-67(49-73(83)81(74)87)57-27-29-58(30-28-57)68-51-75-82-76(52-68)86(7,8)72-48-66(62-34-32-56-24-16-18-26-60(56)44-62)38-42-80(72)88(82)79-41-37-65(47-71(79)85(75,5)6)61-33-31-55-23-15-17-25-59(55)43-61/h9-52H,1-8H3
• InChIKey: OFECHKMLKQHUTM-UHFFFAOYSA-N
• XLogP: 23.49
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1129.50
LogP ≤ 5	23.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 8,8,14,14-tetramethyl-5,17-dinaphthalen-2-yl-11-[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)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The IUPAC name of 8,8,14,14-tetramethyl-5,17-dinaphthalen-2-yl-11-[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)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (CID 90330332) is 8,8,14,14-tetramethyl-5,17-dinaphthalen-2-yl-11-[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)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

What is the SMILES notation for 8,8,14,14-tetramethyl-5,17-dinaphthalen-2-yl-11-[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)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The canonical SMILES for 8,8,14,14-tetramethyl-5,17-dinaphthalen-2-yl-11-[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)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is CC1(C)c2cc(-c3ccccc3)ccc2N2c3ccc(-c4ccccc4)cc3C(C)(C)c3cc(-c4ccc(-c5cc6c7c(c5)C(C)(C)c5cc(-c8ccc9ccccc9c8)ccc5N7c5ccc(-c7ccc8ccccc8c7)cc5C6(C)C)cc4)cc1c32.

What is the InChIKey of 8,8,14,14-tetramethyl-5,17-dinaphthalen-2-yl-11-[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)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The InChIKey is OFECHKMLKQHUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H68N2/c1-83(2)69-45-63(53-19-11-9-12-20-53)35-39-77(69)87-78-40-36-64(54-21-13-10-14-22-54)46-70(78)84(3,4)74-50-67(49-73(83)81(74)87)57-27-29-58(30-28-57)68-51-75-82-76(52-68)86(7,8)72-48-66(62-34-32-56-24-16-18-26-60(56)44-62)38-42-80(72)88(82)79-41-37-65(47-71(79)85(75,5)6)61-33-31-55-23-15-17-25-59(55)43-61/h9-52H,1-8H3.

What are the key properties of 8,8,14,14-tetramethyl-5,17-dinaphthalen-2-yl-11-[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)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

8,8,14,14-tetramethyl-5,17-dinaphthalen-2-yl-11-[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)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 1129.50 g/mol, XLogP of 23.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 8,8,14,14-tetramethyl-5,17-dinaphthalen-2-yl-11-[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)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 90330332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).