4-(4-methylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-[4-[8,8,14,14-tetramethyl-11-[6-[4-(4-naphthalen-2-yl-N-[4-(8,8,14,14-tetramethyl-1,10,12,15-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl)phenyl]anilino)phenyl]naphthalen-1-yl]-1,10,12,15-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl]phenyl]aniline

C107H84N10 — CID 158936028

About 4-(4-methylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-[4-[8,8,14,14-tetramethyl-11-[6-[4-(4-naphthalen-2-yl-N-[4-(8,8,14,14-tetramethyl-1,10,12,15-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl)phenyl]anilino)phenyl]naphthalen-1-yl]-1,10,12,15-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl]phenyl]aniline

4-(4-methylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-[4-[8,8,14,14-tetramethyl-11-[6-[4-(4-naphthalen-2-yl-N-[4-(8,8,14,14-tetramethyl-1,10,12,15-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl)phenyl]anilino)phenyl]naphthalen-1-yl]-1,10,12,15-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl]phenyl]aniline (PubChem CID 158936028) has the molecular formula C107H84N10 and a molecular weight of 1509.92 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-[4-[8,8,14,14-tetramethyl-11-[6-[4-(4-naphthalen-2-yl-N-[4-(8,8,14,14-tetramethyl-1,10,12,15-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl)phenyl]anilino)phenyl]naphthalen-1-yl]-1,10,12,15-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl]phenyl]aniline.

Molecular Properties

• Compound Name: 4-(4-methylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-[4-[8,8,14,14-tetramethyl-11-[6-[4-(4-naphthalen-2-yl-N-[4-(8,8,14,14-tetramethyl-1,10,12,15-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl)phenyl]anilino)phenyl]naphthalen-1-yl]-1,10,12,15-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl]phenyl]aniline
• PubChem CID: 158936028
• Molecular Formula: C107H84N10
• Molecular Weight: 1509.92 g/mol
• Exact Mass: 1508.69
• IUPAC Name: 4-(4-methylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-[4-[8,8,14,14-tetramethyl-11-[6-[4-(4-naphthalen-2-yl-N-[4-(8,8,14,14-tetramethyl-1,10,12,15-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl)phenyl]anilino)phenyl]naphthalen-1-yl]-1,10,12,15-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl]phenyl]aniline
• SMILES: Cc1ccc(-c2ccc(N(c3ccc(C4=NC(C)(C)c5nc(-c6cccc7cc(-c8ccc(N(c9ccc(C%10=NC(C)(C)c%11ncnc%12c%11N%10c%10ccccc%10C%12(C)C)cc9)c9ccc(-c%10ccc%11ccccc%11c%10)cc9)cc8)ccc67)nc6c5N4c4ccccc4C6(C)C)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1
• InChI: InChI=1S/C107H84N10/c1-67-29-31-70(32-30-67)71-37-50-83(51-38-71)114(84-52-39-72(40-53-84)79-35-33-68-19-10-12-21-77(68)63-79)87-60-47-76(48-61-87)103-113-107(8,9)100-96-98(105(4,5)92-26-15-17-28-94(92)117(96)103)110-101(111-100)90-24-18-23-82-65-81(49-62-89(82)90)74-43-56-86(57-44-74)115(85-54-41-73(42-55-85)80-36-34-69-20-11-13-22-78(69)64-80)88-58-45-75(46-59-88)102-112-106(6,7)99-95-97(108-66-109-99)104(2,3)91-25-14-16-27-93(91)116(95)102/h10-66H,1-9H3
• InChIKey: JJQSMQMQOISWQP-UHFFFAOYSA-N
• XLogP: 27.26
• TPSA: 89.24 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1509.92
LogP ≤ 5	27.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-[4-[8,8,14,14-tetramethyl-11-[6-[4-(4-naphthalen-2-yl-N-[4-(8,8,14,14-tetramethyl-1,10,12,15-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl)phenyl]anilino)phenyl]naphthalen-1-yl]-1,10,12,15-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl]phenyl]aniline?

The IUPAC name of 4-(4-methylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-[4-[8,8,14,14-tetramethyl-11-[6-[4-(4-naphthalen-2-yl-N-[4-(8,8,14,14-tetramethyl-1,10,12,15-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl)phenyl]anilino)phenyl]naphthalen-1-yl]-1,10,12,15-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl]phenyl]aniline (CID 158936028) is 4-(4-methylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-[4-[8,8,14,14-tetramethyl-11-[6-[4-(4-naphthalen-2-yl-N-[4-(8,8,14,14-tetramethyl-1,10,12,15-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl)phenyl]anilino)phenyl]naphthalen-1-yl]-1,10,12,15-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl]phenyl]aniline.

What is the SMILES notation for 4-(4-methylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-[4-[8,8,14,14-tetramethyl-11-[6-[4-(4-naphthalen-2-yl-N-[4-(8,8,14,14-tetramethyl-1,10,12,15-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl)phenyl]anilino)phenyl]naphthalen-1-yl]-1,10,12,15-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl]phenyl]aniline?

The canonical SMILES for 4-(4-methylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-[4-[8,8,14,14-tetramethyl-11-[6-[4-(4-naphthalen-2-yl-N-[4-(8,8,14,14-tetramethyl-1,10,12,15-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl)phenyl]anilino)phenyl]naphthalen-1-yl]-1,10,12,15-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl]phenyl]aniline is Cc1ccc(-c2ccc(N(c3ccc(C4=NC(C)(C)c5nc(-c6cccc7cc(-c8ccc(N(c9ccc(C%10=NC(C)(C)c%11ncnc%12c%11N%10c%10ccccc%10C%12(C)C)cc9)c9ccc(-c%10ccc%11ccccc%11c%10)cc9)cc8)ccc67)nc6c5N4c4ccccc4C6(C)C)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1.

What is the InChIKey of 4-(4-methylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-[4-[8,8,14,14-tetramethyl-11-[6-[4-(4-naphthalen-2-yl-N-[4-(8,8,14,14-tetramethyl-1,10,12,15-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl)phenyl]anilino)phenyl]naphthalen-1-yl]-1,10,12,15-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl]phenyl]aniline?

The InChIKey is JJQSMQMQOISWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C107H84N10/c1-67-29-31-70(32-30-67)71-37-50-83(51-38-71)114(84-52-39-72(40-53-84)79-35-33-68-19-10-12-21-77(68)63-79)87-60-47-76(48-61-87)103-113-107(8,9)100-96-98(105(4,5)92-26-15-17-28-94(92)117(96)103)110-101(111-100)90-24-18-23-82-65-81(49-62-89(82)90)74-43-56-86(57-44-74)115(85-54-41-73(42-55-85)80-36-34-69-20-11-13-22-78(69)64-80)88-58-45-75(46-59-88)102-112-106(6,7)99-95-97(108-66-109-99)104(2,3)91-25-14-16-27-93(91)116(95)102/h10-66H,1-9H3.

What are the key properties of 4-(4-methylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-[4-[8,8,14,14-tetramethyl-11-[6-[4-(4-naphthalen-2-yl-N-[4-(8,8,14,14-tetramethyl-1,10,12,15-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl)phenyl]anilino)phenyl]naphthalen-1-yl]-1,10,12,15-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl]phenyl]aniline?

4-(4-methylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-[4-[8,8,14,14-tetramethyl-11-[6-[4-(4-naphthalen-2-yl-N-[4-(8,8,14,14-tetramethyl-1,10,12,15-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl)phenyl]anilino)phenyl]naphthalen-1-yl]-1,10,12,15-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl]phenyl]aniline has a molecular weight of 1509.92 g/mol, XLogP of 27.26, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-methylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-[4-[8,8,14,14-tetramethyl-11-[6-[4-(4-naphthalen-2-yl-N-[4-(8,8,14,14-tetramethyl-1,10,12,15-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl)phenyl]anilino)phenyl]naphthalen-1-yl]-1,10,12,15-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-16-yl]phenyl]aniline is sourced from PubChem (CID 158936028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).