N,N-diphenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)naphthalen-2-amine

C46H36N2 — CID 70893180

About N,N-diphenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)naphthalen-2-amine

N,N-diphenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)naphthalen-2-amine (PubChem CID 70893180) has the molecular formula C46H36N2 and a molecular weight of 616.81 g/mol. Its IUPAC name is N,N-diphenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)naphthalen-2-amine.

Molecular Properties

• Compound Name: N,N-diphenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)naphthalen-2-amine
• PubChem CID: 70893180
• Molecular Formula: C46H36N2
• Molecular Weight: 616.81 g/mol
• Exact Mass: 616.29
• IUPAC Name: N,N-diphenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)naphthalen-2-amine
• SMILES: CC1(C)c2cccc3c2-n2c4c1cccc4c1cc(-c4ccc5cc(N(c6ccccc6)c6ccccc6)ccc5c4)cc(c12)C3(C)C
• InChI: InChI=1S/C46H36N2/c1-45(2)38-18-11-17-36-37-27-32(28-41-43(37)48(42(36)38)44-39(45)19-12-20-40(44)46(41,3)4)30-21-22-31-26-35(24-23-29(31)25-30)47(33-13-7-5-8-14-33)34-15-9-6-10-16-34/h5-28H,1-4H3
• InChIKey: WMHHZKWNCOYYKZ-UHFFFAOYSA-N
• XLogP: 12.35
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.81
LogP ≤ 5	12.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)naphthalen-2-amine?

The IUPAC name of N,N-diphenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)naphthalen-2-amine (CID 70893180) is N,N-diphenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)naphthalen-2-amine.

What is the SMILES notation for N,N-diphenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)naphthalen-2-amine?

The canonical SMILES for N,N-diphenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)naphthalen-2-amine is CC1(C)c2cccc3c2-n2c4c1cccc4c1cc(-c4ccc5cc(N(c6ccccc6)c6ccccc6)ccc5c4)cc(c12)C3(C)C.

What is the InChIKey of N,N-diphenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)naphthalen-2-amine?

The InChIKey is WMHHZKWNCOYYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N2/c1-45(2)38-18-11-17-36-37-27-32(28-41-43(37)48(42(36)38)44-39(45)19-12-20-40(44)46(41,3)4)30-21-22-31-26-35(24-23-29(31)25-30)47(33-13-7-5-8-14-33)34-15-9-6-10-16-34/h5-28H,1-4H3.

What are the key properties of N,N-diphenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)naphthalen-2-amine?

N,N-diphenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)naphthalen-2-amine has a molecular weight of 616.81 g/mol, XLogP of 12.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)naphthalen-2-amine is sourced from PubChem (CID 70893180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).