1-N,1-N,3-N,3-N-tetrakis(4-methoxyphenyl)-5-[(2-phenylphenyl)methyl]benzene-1,3-diamine

C47H42N2O4 — CID 139606564

IUPAC1-N,1-N,3-N,3-N-tetrakis(4-methoxyphenyl)-5-[(2-phenylphenyl)methyl]benzene-1,3-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2cc(Cc3ccccc3-c3ccccc3)cc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C47H42N2O4/c1-50-43-22-14-37(15-23-43)48(38-16-24-44(51-2)25-17-38)41-31-34(30-36-12-8-9-13-47(36)35-10-6-5-7-11-35)32-42(33-41)49(39-18-26-45(52-3)27-19-39)40-20-28-46(53-4)29-21-40/h5-29,31-33H,30H2,1-4H3
InChIKeyNLSJKFTZJSFYBC-UHFFFAOYSA-N
MW698.86 g/mol
LogP11.92
Rot. Bonds13

About 1-N,1-N,3-N,3-N-tetrakis(4-methoxyphenyl)-5-[(2-phenylphenyl)methyl]benzene-1,3-diamine

1-N,1-N,3-N,3-N-tetrakis(4-methoxyphenyl)-5-[(2-phenylphenyl)methyl]benzene-1,3-diamine (PubChem CID 139606564) has the molecular formula C47H42N2O4 and a molecular weight of 698.86 g/mol. Its IUPAC name is 1-N,1-N,3-N,3-N-tetrakis(4-methoxyphenyl)-5-[(2-phenylphenyl)methyl]benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-N,3-N-tetrakis(4-methoxyphenyl)-5-[(2-phenylphenyl)methyl]benzene-1,3-diamine
PubChem CID139606564
Molecular FormulaC47H42N2O4
Molecular Weight698.86 g/mol
Exact Mass698.31
IUPAC Name1-N,1-N,3-N,3-N-tetrakis(4-methoxyphenyl)-5-[(2-phenylphenyl)methyl]benzene-1,3-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2cc(Cc3ccccc3-c3ccccc3)cc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C47H42N2O4/c1-50-43-22-14-37(15-23-43)48(38-16-24-44(51-2)25-17-38)41-31-34(30-36-12-8-9-13-47(36)35-10-6-5-7-11-35)32-42(33-41)49(39-18-26-45(52-3)27-19-39)40-20-28-46(53-4)29-21-40/h5-29,31-33H,30H2,1-4H3
InChIKeyNLSJKFTZJSFYBC-UHFFFAOYSA-N
XLogP11.92
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.86
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-N,1-N,3-N,3-N-tetrakis(4-methoxyphenyl)-5-[(2-phenylphenyl)methyl]benzene-1,3-diamine with MolForge

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Related Compounds

1-methoxy-3-[(2-phenylphenyl)methyl]benzene
CID 150811208
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
3,5-dimethoxy-N-(4-methoxyphenyl)-N-phenylaniline
CID 101074592
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(4-methylphenyl)azulene-5,7-diamine
CID 139606545
1-N,3-N,5-N-tris(4-methoxyphenyl)-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine
CID 59907395
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
N-(4-chlorophenyl)-N-(4-methoxyphenyl)-4-phenylaniline
CID 20734414
6-N,16-N-bis(4-methoxyphenyl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166032295
N,N-bis(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)aniline;5-methyl-2-(4-methylphenyl)-N,N-diphenylaniline
CID 162149511
N-(4-methoxyphenyl)-N-phenylnaphthalen-2-amine
CID 15905236

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N,3-N-tetrakis(4-methoxyphenyl)-5-[(2-phenylphenyl)methyl]benzene-1,3-diamine?
The IUPAC name of 1-N,1-N,3-N,3-N-tetrakis(4-methoxyphenyl)-5-[(2-phenylphenyl)methyl]benzene-1,3-diamine (CID 139606564) is 1-N,1-N,3-N,3-N-tetrakis(4-methoxyphenyl)-5-[(2-phenylphenyl)methyl]benzene-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-N,3-N-tetrakis(4-methoxyphenyl)-5-[(2-phenylphenyl)methyl]benzene-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-N,3-N-tetrakis(4-methoxyphenyl)-5-[(2-phenylphenyl)methyl]benzene-1,3-diamine is COc1ccc(N(c2ccc(OC)cc2)c2cc(Cc3ccccc3-c3ccccc3)cc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)c2)cc1.
What is the InChIKey of 1-N,1-N,3-N,3-N-tetrakis(4-methoxyphenyl)-5-[(2-phenylphenyl)methyl]benzene-1,3-diamine?
The InChIKey is NLSJKFTZJSFYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H42N2O4/c1-50-43-22-14-37(15-23-43)48(38-16-24-44(51-2)25-17-38)41-31-34(30-36-12-8-9-13-47(36)35-10-6-5-7-11-35)32-42(33-41)49(39-18-26-45(52-3)27-19-39)40-20-28-46(53-4)29-21-40/h5-29,31-33H,30H2,1-4H3.
What are the key properties of 1-N,1-N,3-N,3-N-tetrakis(4-methoxyphenyl)-5-[(2-phenylphenyl)methyl]benzene-1,3-diamine?
1-N,1-N,3-N,3-N-tetrakis(4-methoxyphenyl)-5-[(2-phenylphenyl)methyl]benzene-1,3-diamine has a molecular weight of 698.86 g/mol, XLogP of 11.92, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N,3-N-tetrakis(4-methoxyphenyl)-5-[(2-phenylphenyl)methyl]benzene-1,3-diamine is sourced from PubChem (CID 139606564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).