N-[4-[4-[bis[4-[4-(3-methoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(3-methoxyphenyl)-3-methylaniline

C105H88N4O3 — CID 160641057

IUPACN-[4-[4-[bis[4-[4-(3-methoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(3-methoxyphenyl)-3-methylaniline
SMILESCOc1cccc(N(c2ccc(-c3ccc(C(c4ccc(-c5ccc(N(c6cccc(C)c6)c6cccc(C)c6)cc5)cc4)(c4ccc(-c5ccc(N(c6cccc(C)c6)c6cccc(OC)c6)cc5)cc4)c4ccc(-c5ccc(N(c6cccc(C)c6)c6cccc(OC)c6)cc5)cc4)cc3)cc2)c2cccc(C)c2)c1
InChIInChI=1S/C105H88N4O3/c1-73-17-9-22-94(65-73)106(95-23-10-18-74(2)66-95)90-57-41-82(42-58-90)78-33-49-86(50-34-78)105(87-51-35-79(36-52-87)83-43-59-91(60-44-83)107(96-24-11-19-75(3)67-96)99-27-14-30-102(70-99)110-6,88-53-37-80(38-54-88)84-45-61-92(62-46-84)108(97-25-12-20-76(4)68-97)100-28-15-31-103(71-100)111-7)89-55-39-81(40-56-89)85-47-63-93(64-48-85)109(98-26-13-21-77(5)69-98)101-29-16-32-104(72-101)112-8/h9-72H,1-8H3
InChIKeyQBTFZIJPOZNCBK-UHFFFAOYSA-N
MW1453.88 g/mol
LogP28.18
Rot. Bonds23

About N-[4-[4-[bis[4-[4-(3-methoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(3-methoxyphenyl)-3-methylaniline

N-[4-[4-[bis[4-[4-(3-methoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(3-methoxyphenyl)-3-methylaniline (PubChem CID 160641057) has the molecular formula C105H88N4O3 and a molecular weight of 1453.88 g/mol. Its IUPAC name is N-[4-[4-[bis[4-[4-(3-methoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(3-methoxyphenyl)-3-methylaniline.

Molecular Properties

Compound NameN-[4-[4-[bis[4-[4-(3-methoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(3-methoxyphenyl)-3-methylaniline
PubChem CID160641057
Molecular FormulaC105H88N4O3
Molecular Weight1453.88 g/mol
Exact Mass1452.69
IUPAC NameN-[4-[4-[bis[4-[4-(3-methoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(3-methoxyphenyl)-3-methylaniline
SMILESCOc1cccc(N(c2ccc(-c3ccc(C(c4ccc(-c5ccc(N(c6cccc(C)c6)c6cccc(C)c6)cc5)cc4)(c4ccc(-c5ccc(N(c6cccc(C)c6)c6cccc(OC)c6)cc5)cc4)c4ccc(-c5ccc(N(c6cccc(C)c6)c6cccc(OC)c6)cc5)cc4)cc3)cc2)c2cccc(C)c2)c1
InChIInChI=1S/C105H88N4O3/c1-73-17-9-22-94(65-73)106(95-23-10-18-74(2)66-95)90-57-41-82(42-58-90)78-33-49-86(50-34-78)105(87-51-35-79(36-52-87)83-43-59-91(60-44-83)107(96-24-11-19-75(3)67-96)99-27-14-30-102(70-99)110-6,88-53-37-80(38-54-88)84-45-61-92(62-46-84)108(97-25-12-20-76(4)68-97)100-28-15-31-103(71-100)111-7)89-55-39-81(40-56-89)85-47-63-93(64-48-85)109(98-26-13-21-77(5)69-98)101-29-16-32-104(72-101)112-8/h9-72H,1-8H3
InChIKeyQBTFZIJPOZNCBK-UHFFFAOYSA-N
XLogP28.18
TPSA40.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds23
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001453.88
LogP ≤ 528.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze N-[4-[4-[bis[4-[4-(3-methoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(3-methoxyphenyl)-3-methylaniline with MolForge

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Related Compounds

3-methoxy-N-(3-methoxyphenyl)-N-(4-methylphenyl)aniline
CID 23399554
1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine;1-N-(4-methoxyphenyl)-1-N-methyl-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-1-N-(3-methylphenyl)-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 162104792
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;3-methoxy-N-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;hydrate
CID 161136163
tris[4-(3-methoxy-N-(3-methoxyphenyl)anilino)phenyl]-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]boranuide
CID 158446549
1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine
CID 22900292
N,N-bis(4-tert-butylphenyl)-3-methylaniline
CID 139326638
1-N,3-N-bis(3-methoxyphenyl)-1-N,3-N-bis(4-methylphenyl)-5-phenylbenzene-1,3-diamine
CID 54275542
1-N,4-N-bis[4-(4-methoxy-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59738736
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
3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468
3-methyl-N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58711214
N-[4-[4-[(E)-2-[4-[4-(4-tert-butyl-N-(3-methylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(4-tert-butylphenyl)-3-methylaniline
CID 89067945

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[bis[4-[4-(3-methoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(3-methoxyphenyl)-3-methylaniline?
The IUPAC name of N-[4-[4-[bis[4-[4-(3-methoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(3-methoxyphenyl)-3-methylaniline (CID 160641057) is N-[4-[4-[bis[4-[4-(3-methoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(3-methoxyphenyl)-3-methylaniline.
What is the SMILES notation for N-[4-[4-[bis[4-[4-(3-methoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(3-methoxyphenyl)-3-methylaniline?
The canonical SMILES for N-[4-[4-[bis[4-[4-(3-methoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(3-methoxyphenyl)-3-methylaniline is COc1cccc(N(c2ccc(-c3ccc(C(c4ccc(-c5ccc(N(c6cccc(C)c6)c6cccc(C)c6)cc5)cc4)(c4ccc(-c5ccc(N(c6cccc(C)c6)c6cccc(OC)c6)cc5)cc4)c4ccc(-c5ccc(N(c6cccc(C)c6)c6cccc(OC)c6)cc5)cc4)cc3)cc2)c2cccc(C)c2)c1.
What is the InChIKey of N-[4-[4-[bis[4-[4-(3-methoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(3-methoxyphenyl)-3-methylaniline?
The InChIKey is QBTFZIJPOZNCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H88N4O3/c1-73-17-9-22-94(65-73)106(95-23-10-18-74(2)66-95)90-57-41-82(42-58-90)78-33-49-86(50-34-78)105(87-51-35-79(36-52-87)83-43-59-91(60-44-83)107(96-24-11-19-75(3)67-96)99-27-14-30-102(70-99)110-6,88-53-37-80(38-54-88)84-45-61-92(62-46-84)108(97-25-12-20-76(4)68-97)100-28-15-31-103(71-100)111-7)89-55-39-81(40-56-89)85-47-63-93(64-48-85)109(98-26-13-21-77(5)69-98)101-29-16-32-104(72-101)112-8/h9-72H,1-8H3.
What are the key properties of N-[4-[4-[bis[4-[4-(3-methoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(3-methoxyphenyl)-3-methylaniline?
N-[4-[4-[bis[4-[4-(3-methoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(3-methoxyphenyl)-3-methylaniline has a molecular weight of 1453.88 g/mol, XLogP of 28.18, 23 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[bis[4-[4-(3-methoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(3-methoxyphenyl)-3-methylaniline is sourced from PubChem (CID 160641057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).