8,8,14,14-tetramethyl-N,N-dinaphthalen-1-yl-11-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

C50H40N2 — CID 70893017

About 8,8,14,14-tetramethyl-N,N-dinaphthalen-1-yl-11-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

8,8,14,14-tetramethyl-N,N-dinaphthalen-1-yl-11-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (PubChem CID 70893017) has the molecular formula C50H40N2 and a molecular weight of 668.88 g/mol. Its IUPAC name is 8,8,14,14-tetramethyl-N,N-dinaphthalen-1-yl-11-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.

Molecular Properties

• Compound Name: 8,8,14,14-tetramethyl-N,N-dinaphthalen-1-yl-11-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
• PubChem CID: 70893017
• Molecular Formula: C50H40N2
• Molecular Weight: 668.88 g/mol
• Exact Mass: 668.32
• IUPAC Name: 8,8,14,14-tetramethyl-N,N-dinaphthalen-1-yl-11-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
• SMILES: CC1(C)c2ccccc2N2c3ccc(N(c4cccc5ccccc45)c4cccc5ccccc45)cc3C(C)(C)c3cc(-c4ccccc4)cc1c32
• InChI: InChI=1S/C50H40N2/c1-49(2)40-24-12-13-25-46(40)52-47-29-28-37(32-41(47)50(3,4)43-31-36(30-42(49)48(43)52)33-16-6-5-7-17-33)51(44-26-14-20-34-18-8-10-22-38(34)44)45-27-15-21-35-19-9-11-23-39(35)45/h5-32H,1-4H3
• InChIKey: GRLZNJWUAXBCCG-UHFFFAOYSA-N
• XLogP: 13.88
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	668.88
LogP ≤ 5	13.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 8,8,14,14-tetramethyl-N,N-dinaphthalen-1-yl-11-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

The IUPAC name of 8,8,14,14-tetramethyl-N,N-dinaphthalen-1-yl-11-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (CID 70893017) is 8,8,14,14-tetramethyl-N,N-dinaphthalen-1-yl-11-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.

What is the SMILES notation for 8,8,14,14-tetramethyl-N,N-dinaphthalen-1-yl-11-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

The canonical SMILES for 8,8,14,14-tetramethyl-N,N-dinaphthalen-1-yl-11-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is CC1(C)c2ccccc2N2c3ccc(N(c4cccc5ccccc45)c4cccc5ccccc45)cc3C(C)(C)c3cc(-c4ccccc4)cc1c32.

What is the InChIKey of 8,8,14,14-tetramethyl-N,N-dinaphthalen-1-yl-11-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

The InChIKey is GRLZNJWUAXBCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40N2/c1-49(2)40-24-12-13-25-46(40)52-47-29-28-37(32-41(47)50(3,4)43-31-36(30-42(49)48(43)52)33-16-6-5-7-17-33)51(44-26-14-20-34-18-8-10-22-38(34)44)45-27-15-21-35-19-9-11-23-39(35)45/h5-32H,1-4H3.

What are the key properties of 8,8,14,14-tetramethyl-N,N-dinaphthalen-1-yl-11-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

8,8,14,14-tetramethyl-N,N-dinaphthalen-1-yl-11-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine has a molecular weight of 668.88 g/mol, XLogP of 13.88, 4 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-N,N-dinaphthalen-1-yl-11-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is sourced from PubChem (CID 70893017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).