N,N-diphenyl-4-(8,8,14,14-tetramethyl-17-phenyl-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)aniline

C48H38N2 — CID 70886158

About N,N-diphenyl-4-(8,8,14,14-tetramethyl-17-phenyl-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)aniline

N,N-diphenyl-4-(8,8,14,14-tetramethyl-17-phenyl-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)aniline (PubChem CID 70886158) has the molecular formula C48H38N2 and a molecular weight of 642.85 g/mol. Its IUPAC name is N,N-diphenyl-4-(8,8,14,14-tetramethyl-17-phenyl-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)aniline.

Molecular Properties

• Compound Name: N,N-diphenyl-4-(8,8,14,14-tetramethyl-17-phenyl-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)aniline
• PubChem CID: 70886158
• Molecular Formula: C48H38N2
• Molecular Weight: 642.85 g/mol
• Exact Mass: 642.30
• IUPAC Name: N,N-diphenyl-4-(8,8,14,14-tetramethyl-17-phenyl-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)aniline
• SMILES: CC1(C)c2cccc3c2-n2c4c1cc(-c1ccccc1)cc4c1cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc(c12)C3(C)C
• InChI: InChI=1S/C48H38N2/c1-47(2)40-21-14-22-41-46(40)50-44-38(27-33(29-42(44)47)31-15-8-5-9-16-31)39-28-34(30-43(45(39)50)48(41,3)4)32-23-25-37(26-24-32)49(35-17-10-6-11-18-35)36-19-12-7-13-20-36/h5-30H,1-4H3
• InChIKey: RXDAETNTZPUXEB-UHFFFAOYSA-N
• XLogP: 12.87
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	642.85
LogP ≤ 5	12.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-(8,8,14,14-tetramethyl-17-phenyl-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)aniline?

The IUPAC name of N,N-diphenyl-4-(8,8,14,14-tetramethyl-17-phenyl-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)aniline (CID 70886158) is N,N-diphenyl-4-(8,8,14,14-tetramethyl-17-phenyl-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)aniline.

What is the SMILES notation for N,N-diphenyl-4-(8,8,14,14-tetramethyl-17-phenyl-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)aniline?

The canonical SMILES for N,N-diphenyl-4-(8,8,14,14-tetramethyl-17-phenyl-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)aniline is CC1(C)c2cccc3c2-n2c4c1cc(-c1ccccc1)cc4c1cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc(c12)C3(C)C.

What is the InChIKey of N,N-diphenyl-4-(8,8,14,14-tetramethyl-17-phenyl-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)aniline?

The InChIKey is RXDAETNTZPUXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38N2/c1-47(2)40-21-14-22-41-46(40)50-44-38(27-33(29-42(44)47)31-15-8-5-9-16-31)39-28-34(30-43(45(39)50)48(41,3)4)32-23-25-37(26-24-32)49(35-17-10-6-11-18-35)36-19-12-7-13-20-36/h5-30H,1-4H3.

What are the key properties of N,N-diphenyl-4-(8,8,14,14-tetramethyl-17-phenyl-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)aniline?

N,N-diphenyl-4-(8,8,14,14-tetramethyl-17-phenyl-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)aniline has a molecular weight of 642.85 g/mol, XLogP of 12.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-4-(8,8,14,14-tetramethyl-17-phenyl-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)aniline is sourced from PubChem (CID 70886158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).