N,N-diphenyl-4-(8,8,14,14-tetramethyl-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-yl)naphthalen-1-amine

C46H38N2 — CID 70893267

About N,N-diphenyl-4-(8,8,14,14-tetramethyl-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-yl)naphthalen-1-amine

N,N-diphenyl-4-(8,8,14,14-tetramethyl-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-yl)naphthalen-1-amine (PubChem CID 70893267) has the molecular formula C46H38N2 and a molecular weight of 618.82 g/mol. Its IUPAC name is N,N-diphenyl-4-(8,8,14,14-tetramethyl-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-yl)naphthalen-1-amine.

Molecular Properties

• Compound Name: N,N-diphenyl-4-(8,8,14,14-tetramethyl-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-yl)naphthalen-1-amine
• PubChem CID: 70893267
• Molecular Formula: C46H38N2
• Molecular Weight: 618.82 g/mol
• Exact Mass: 618.30
• IUPAC Name: N,N-diphenyl-4-(8,8,14,14-tetramethyl-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-yl)naphthalen-1-amine
• SMILES: CC1(C)c2ccccc2N2c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)c5ccccc45)cc3C(C)(C)c3cccc1c32
• InChI: InChI=1S/C46H38N2/c1-45(2)37-22-13-14-25-42(37)48-43-28-26-31(30-40(43)46(3,4)39-24-15-23-38(45)44(39)48)34-27-29-41(36-21-12-11-20-35(34)36)47(32-16-7-5-8-17-32)33-18-9-6-10-19-33/h5-30H,1-4H3
• InChIKey: SPRTVIDVFITESY-UHFFFAOYSA-N
• XLogP: 12.73
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.82
LogP ≤ 5	12.73
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-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-yl)naphthalen-1-amine?

The IUPAC name of N,N-diphenyl-4-(8,8,14,14-tetramethyl-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-yl)naphthalen-1-amine (CID 70893267) is N,N-diphenyl-4-(8,8,14,14-tetramethyl-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-yl)naphthalen-1-amine.

What is the SMILES notation for N,N-diphenyl-4-(8,8,14,14-tetramethyl-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-yl)naphthalen-1-amine?

The canonical SMILES for N,N-diphenyl-4-(8,8,14,14-tetramethyl-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-yl)naphthalen-1-amine is CC1(C)c2ccccc2N2c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)c5ccccc45)cc3C(C)(C)c3cccc1c32.

What is the InChIKey of N,N-diphenyl-4-(8,8,14,14-tetramethyl-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-yl)naphthalen-1-amine?

The InChIKey is SPRTVIDVFITESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38N2/c1-45(2)37-22-13-14-25-42(37)48-43-28-26-31(30-40(43)46(3,4)39-24-15-23-38(45)44(39)48)34-27-29-41(36-21-12-11-20-35(34)36)47(32-16-7-5-8-17-32)33-18-9-6-10-19-33/h5-30H,1-4H3.

What are the key properties of N,N-diphenyl-4-(8,8,14,14-tetramethyl-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-yl)naphthalen-1-amine?

N,N-diphenyl-4-(8,8,14,14-tetramethyl-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-yl)naphthalen-1-amine has a molecular weight of 618.82 g/mol, XLogP of 12.73, 4 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-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-yl)naphthalen-1-amine is sourced from PubChem (CID 70893267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).