4-[17-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)naphthalen-1-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-5-yl]-N,N-bis(4-tert-butylphenyl)naphthalen-1-amine

C84H83N3 — CID 89074513

About 4-[17-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)naphthalen-1-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-5-yl]-N,N-bis(4-tert-butylphenyl)naphthalen-1-amine

4-[17-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)naphthalen-1-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-5-yl]-N,N-bis(4-tert-butylphenyl)naphthalen-1-amine (PubChem CID 89074513) has the molecular formula C84H83N3 and a molecular weight of 1134.61 g/mol. Its IUPAC name is 4-[17-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)naphthalen-1-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-5-yl]-N,N-bis(4-tert-butylphenyl)naphthalen-1-amine.

Molecular Properties

• Compound Name: 4-[17-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)naphthalen-1-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-5-yl]-N,N-bis(4-tert-butylphenyl)naphthalen-1-amine
• PubChem CID: 89074513
• Molecular Formula: C84H83N3
• Molecular Weight: 1134.61 g/mol
• Exact Mass: 1133.66
• IUPAC Name: 4-[17-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)naphthalen-1-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-5-yl]-N,N-bis(4-tert-butylphenyl)naphthalen-1-amine
• SMILES: CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(-c3cc4c5c(c3)c3cc(-c6ccc(N(c7ccc(C(C)(C)C)cc7)c7ccc(C(C)(C)C)cc7)c7ccccc67)cc6c3n5-c3c(cccc3C6(C)C)C4(C)C)c3ccccc23)cc1
• InChI: InChI=1S/C84H83N3/c1-79(2,3)54-28-36-58(37-29-54)85(59-38-30-55(31-39-59)80(4,5)6)74-46-44-62(64-22-17-19-24-66(64)74)52-48-68-69-49-53(51-73-77(69)87-76(68)72(50-52)83(13,14)70-26-21-27-71(78(70)87)84(73,15)16)63-45-47-75(67-25-20-18-23-65(63)67)86(60-40-32-56(33-41-60)81(7,8)9)61-42-34-57(35-43-61)82(10,11)12/h17-51H,1-16H3
• InChIKey: IIWDITNBXOAANF-UHFFFAOYSA-N
• XLogP: 23.83
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1134.61
LogP ≤ 5	23.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[17-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)naphthalen-1-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-5-yl]-N,N-bis(4-tert-butylphenyl)naphthalen-1-amine?

The IUPAC name of 4-[17-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)naphthalen-1-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-5-yl]-N,N-bis(4-tert-butylphenyl)naphthalen-1-amine (CID 89074513) is 4-[17-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)naphthalen-1-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-5-yl]-N,N-bis(4-tert-butylphenyl)naphthalen-1-amine.

What is the SMILES notation for 4-[17-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)naphthalen-1-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-5-yl]-N,N-bis(4-tert-butylphenyl)naphthalen-1-amine?

The canonical SMILES for 4-[17-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)naphthalen-1-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-5-yl]-N,N-bis(4-tert-butylphenyl)naphthalen-1-amine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(-c3cc4c5c(c3)c3cc(-c6ccc(N(c7ccc(C(C)(C)C)cc7)c7ccc(C(C)(C)C)cc7)c7ccccc67)cc6c3n5-c3c(cccc3C6(C)C)C4(C)C)c3ccccc23)cc1.

What is the InChIKey of 4-[17-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)naphthalen-1-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-5-yl]-N,N-bis(4-tert-butylphenyl)naphthalen-1-amine?

The InChIKey is IIWDITNBXOAANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H83N3/c1-79(2,3)54-28-36-58(37-29-54)85(59-38-30-55(31-39-59)80(4,5)6)74-46-44-62(64-22-17-19-24-66(64)74)52-48-68-69-49-53(51-73-77(69)87-76(68)72(50-52)83(13,14)70-26-21-27-71(78(70)87)84(73,15)16)63-45-47-75(67-25-20-18-23-65(63)67)86(60-40-32-56(33-41-60)81(7,8)9)61-42-34-57(35-43-61)82(10,11)12/h17-51H,1-16H3.

What are the key properties of 4-[17-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)naphthalen-1-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-5-yl]-N,N-bis(4-tert-butylphenyl)naphthalen-1-amine?

4-[17-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)naphthalen-1-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-5-yl]-N,N-bis(4-tert-butylphenyl)naphthalen-1-amine has a molecular weight of 1134.61 g/mol, XLogP of 23.83, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[17-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)naphthalen-1-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-5-yl]-N,N-bis(4-tert-butylphenyl)naphthalen-1-amine is sourced from PubChem (CID 89074513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).