N-phenyl-N-[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)phenyl]naphthalen-1-amine

C52H40N2 — CID 70886178

About N-phenyl-N-[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)phenyl]naphthalen-1-amine

N-phenyl-N-[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)phenyl]naphthalen-1-amine (PubChem CID 70886178) has the molecular formula C52H40N2 and a molecular weight of 692.91 g/mol. Its IUPAC name is N-phenyl-N-[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)phenyl]naphthalen-1-amine.

Molecular Properties

• Compound Name: N-phenyl-N-[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)phenyl]naphthalen-1-amine
• PubChem CID: 70886178
• Molecular Formula: C52H40N2
• Molecular Weight: 692.91 g/mol
• Exact Mass: 692.32
• IUPAC Name: N-phenyl-N-[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)phenyl]naphthalen-1-amine
• SMILES: CC1(C)c2cccc3c2-n2c4c1cc(-c1ccccc1)cc4c1cc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc(c12)C3(C)C
• InChI: InChI=1S/C52H40N2/c1-51(2)43-22-14-23-44-50(43)54-48-41(29-36(31-45(48)51)33-15-7-5-8-16-33)42-30-37(32-46(49(42)54)52(44,3)4)34-25-27-39(28-26-34)53(38-19-9-6-10-20-38)47-24-13-18-35-17-11-12-21-40(35)47/h5-32H,1-4H3
• InChIKey: UPUPLAXMRYZFFW-UHFFFAOYSA-N
• XLogP: 14.02
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	692.91
LogP ≤ 5	14.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[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)phenyl]naphthalen-1-amine?

The IUPAC name of N-phenyl-N-[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)phenyl]naphthalen-1-amine (CID 70886178) is N-phenyl-N-[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)phenyl]naphthalen-1-amine.

What is the SMILES notation for N-phenyl-N-[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)phenyl]naphthalen-1-amine?

The canonical SMILES for N-phenyl-N-[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)phenyl]naphthalen-1-amine is CC1(C)c2cccc3c2-n2c4c1cc(-c1ccccc1)cc4c1cc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc(c12)C3(C)C.

What is the InChIKey of N-phenyl-N-[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)phenyl]naphthalen-1-amine?

The InChIKey is UPUPLAXMRYZFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H40N2/c1-51(2)43-22-14-23-44-50(43)54-48-41(29-36(31-45(48)51)33-15-7-5-8-16-33)42-30-37(32-46(49(42)54)52(44,3)4)34-25-27-39(28-26-34)53(38-19-9-6-10-20-38)47-24-13-18-35-17-11-12-21-40(35)47/h5-32H,1-4H3.

What are the key properties of N-phenyl-N-[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)phenyl]naphthalen-1-amine?

N-phenyl-N-[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)phenyl]naphthalen-1-amine has a molecular weight of 692.91 g/mol, XLogP of 14.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-N-[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)phenyl]naphthalen-1-amine is sourced from PubChem (CID 70886178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).