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

C114H96N6O2 — CID 162104792

IUPAC1-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
SMILESCOc1ccc(N(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1.COc1cccc(N(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)c1.Cc1cccc(N(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)c1
InChIInChI=1S/2C38H32N2O.C38H32N2/c1-39(37-14-9-15-38(28-37)41-2)33-24-26-36(27-25-33)40(34-20-16-31(17-21-34)29-10-5-3-6-11-29)35-22-18-32(19-23-35)30-12-7-4-8-13-30;1-39(34-25-27-38(41-2)28-26-34)33-21-23-37(24-22-33)40(35-17-13-31(14-18-35)29-9-5-3-6-10-29)36-19-15-32(16-20-36)30-11-7-4-8-12-30;1-29-10-9-15-38(28-29)39(2)34-24-26-37(27-25-34)40(35-20-16-32(17-21-35)30-11-5-3-6-12-30)36-22-18-33(19-23-36)31-13-7-4-8-14-31/h2*3-28H,1-2H3;3-28H,1-2H3
InChIKeyZFJAFIGTGLVUDT-UHFFFAOYSA-N
MW1582.06 g/mol
LogP31.10
Rot. Bonds23

About 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

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 (PubChem CID 162104792) has the molecular formula C114H96N6O2 and a molecular weight of 1582.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID162104792
Molecular FormulaC114H96N6O2
Molecular Weight1582.06 g/mol
Exact Mass1580.76
IUPAC Name1-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
SMILESCOc1ccc(N(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1.COc1cccc(N(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)c1.Cc1cccc(N(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)c1
InChIInChI=1S/2C38H32N2O.C38H32N2/c1-39(37-14-9-15-38(28-37)41-2)33-24-26-36(27-25-33)40(34-20-16-31(17-21-34)29-10-5-3-6-11-29)35-22-18-32(19-23-35)30-12-7-4-8-13-30;1-39(34-25-27-38(41-2)28-26-34)33-21-23-37(24-22-33)40(35-17-13-31(14-18-35)29-9-5-3-6-10-29)36-19-15-32(16-20-36)30-11-7-4-8-12-30;1-29-10-9-15-38(28-29)39(2)34-24-26-37(27-25-34)40(35-20-16-32(17-21-35)30-11-5-3-6-12-30)36-22-18-33(19-23-36)31-13-7-4-8-14-31/h2*3-28H,1-2H3;3-28H,1-2H3
InChIKeyZFJAFIGTGLVUDT-UHFFFAOYSA-N
XLogP31.10
TPSA37.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001582.06
LogP ≤ 531.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

N-[4-[4-(N,3-dimethylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 160743025
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
N-[4-[4-(N,3-dimethylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 160664392
N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 59431830
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-methoxyphenyl)-N,3-dimethylaniline
CID 58090553
N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 161212613
N-(3-methoxyphenyl)-N,3-dimethylaniline
CID 57317971
4-(3-methoxyphenyl)-N,N-diphenylaniline
CID 175141155
1-N,3-N-bis(3-methoxyphenyl)-1-N,3-N-bis(4-methylphenyl)-5-phenylbenzene-1,3-diamine
CID 54275542
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
1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine;1-N-(4-methoxyphenyl)-1-N-methyl-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-1-N-(4-nitrophenyl)-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine
CID 158367114

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(N(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1.COc1cccc(N(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)c1.Cc1cccc(N(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)c1.
What is the InChIKey of 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?
The InChIKey is ZFJAFIGTGLVUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C38H32N2O.C38H32N2/c1-39(37-14-9-15-38(28-37)41-2)33-24-26-36(27-25-33)40(34-20-16-31(17-21-34)29-10-5-3-6-11-29)35-22-18-32(19-23-35)30-12-7-4-8-13-30;1-39(34-25-27-38(41-2)28-26-34)33-21-23-37(24-22-33)40(35-17-13-31(14-18-35)29-9-5-3-6-10-29)36-19-15-32(16-20-36)30-11-7-4-8-12-30;1-29-10-9-15-38(28-29)39(2)34-24-26-37(27-25-34)40(35-20-16-32(17-21-35)30-11-5-3-6-12-30)36-22-18-33(19-23-36)31-13-7-4-8-14-31/h2*3-28H,1-2H3;3-28H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1582.06 g/mol, XLogP of 31.10, 23 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162104792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).