N,N-bis(4-methoxyphenyl)-4-[11,13,15-tris[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaenyl]aniline

C96H84N4O8 — CID 122449104

IUPACN,N-bis(4-methoxyphenyl)-4-[11,13,15-tris[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaenyl]aniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3cc4c(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)cc3CCc3cc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)c(cc3-c3ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc3)CC4)cc2)cc1
InChIInChI=1S/C96H84N4O8/c1-101-85-45-29-77(30-46-85)97(78-31-47-86(102-2)48-32-78)73-21-13-65(14-22-73)93-61-70-11-12-72-64-95(67-17-25-75(26-18-67)99(81-37-53-89(105-5)54-38-81)82-39-55-90(106-6)56-40-82)71(63-96(72)68-19-27-76(28-20-68)100(83-41-57-91(107-7)58-42-83)84-43-59-92(108-8)60-44-84)10-9-69(93)62-94(70)66-15-23-74(24-16-66)98(79-33-49-87(103-3)50-34-79)80-35-51-88(104-4)52-36-80/h13-64H,9-12H2,1-8H3
InChIKeyUSLMUBIABTVJHD-UHFFFAOYSA-N
MW1421.75 g/mol
LogP24.19
Rot. Bonds24

About N,N-bis(4-methoxyphenyl)-4-[11,13,15-tris[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaenyl]aniline

N,N-bis(4-methoxyphenyl)-4-[11,13,15-tris[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaenyl]aniline (PubChem CID 122449104) has the molecular formula C96H84N4O8 and a molecular weight of 1421.75 g/mol. Its IUPAC name is N,N-bis(4-methoxyphenyl)-4-[11,13,15-tris[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaenyl]aniline.

Molecular Properties

Compound NameN,N-bis(4-methoxyphenyl)-4-[11,13,15-tris[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaenyl]aniline
PubChem CID122449104
Molecular FormulaC96H84N4O8
Molecular Weight1421.75 g/mol
Exact Mass1420.63
IUPAC NameN,N-bis(4-methoxyphenyl)-4-[11,13,15-tris[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaenyl]aniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3cc4c(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)cc3CCc3cc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)c(cc3-c3ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc3)CC4)cc2)cc1
InChIInChI=1S/C96H84N4O8/c1-101-85-45-29-77(30-46-85)97(78-31-47-86(102-2)48-32-78)73-21-13-65(14-22-73)93-61-70-11-12-72-64-95(67-17-25-75(26-18-67)99(81-37-53-89(105-5)54-38-81)82-39-55-90(106-6)56-40-82)71(63-96(72)68-19-27-76(28-20-68)100(83-41-57-91(107-7)58-42-83)84-43-59-92(108-8)60-44-84)10-9-69(93)62-94(70)66-15-23-74(24-16-66)98(79-33-49-87(103-3)50-34-79)80-35-51-88(104-4)52-36-80/h13-64H,9-12H2,1-8H3
InChIKeyUSLMUBIABTVJHD-UHFFFAOYSA-N
XLogP24.19
TPSA86.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001421.75
LogP ≤ 524.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze N,N-bis(4-methoxyphenyl)-4-[11,13,15-tris[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaenyl]aniline with MolForge

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Related Compounds

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CID 161479065
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]phenyl]anilino]phenyl]methanol
CID 59148670
4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 70476118
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
N-(4-methoxyphenyl)-N-(4-methylphenyl)-9-phenylphenanthren-2-amine
CID 20685687
N-[4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-bis[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 161292893
N,N-bis(4-methoxyphenyl)-9H-fluoren-3-amine
CID 161479064
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CID 11149112

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-methoxyphenyl)-4-[11,13,15-tris[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaenyl]aniline?
The IUPAC name of N,N-bis(4-methoxyphenyl)-4-[11,13,15-tris[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaenyl]aniline (CID 122449104) is N,N-bis(4-methoxyphenyl)-4-[11,13,15-tris[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaenyl]aniline.
What is the SMILES notation for N,N-bis(4-methoxyphenyl)-4-[11,13,15-tris[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaenyl]aniline?
The canonical SMILES for N,N-bis(4-methoxyphenyl)-4-[11,13,15-tris[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaenyl]aniline is COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3cc4c(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)cc3CCc3cc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)c(cc3-c3ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc3)CC4)cc2)cc1.
What is the InChIKey of N,N-bis(4-methoxyphenyl)-4-[11,13,15-tris[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaenyl]aniline?
The InChIKey is USLMUBIABTVJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H84N4O8/c1-101-85-45-29-77(30-46-85)97(78-31-47-86(102-2)48-32-78)73-21-13-65(14-22-73)93-61-70-11-12-72-64-95(67-17-25-75(26-18-67)99(81-37-53-89(105-5)54-38-81)82-39-55-90(106-6)56-40-82)71(63-96(72)68-19-27-76(28-20-68)100(83-41-57-91(107-7)58-42-83)84-43-59-92(108-8)60-44-84)10-9-69(93)62-94(70)66-15-23-74(24-16-66)98(79-33-49-87(103-3)50-34-79)80-35-51-88(104-4)52-36-80/h13-64H,9-12H2,1-8H3.
What are the key properties of N,N-bis(4-methoxyphenyl)-4-[11,13,15-tris[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaenyl]aniline?
N,N-bis(4-methoxyphenyl)-4-[11,13,15-tris[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaenyl]aniline has a molecular weight of 1421.75 g/mol, XLogP of 24.19, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-methoxyphenyl)-4-[11,13,15-tris[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaenyl]aniline is sourced from PubChem (CID 122449104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).