[5-(N-[4-[4-[4-(N-(3-methoxy-4-methylphenyl)anilino)phenyl]phenyl]phenyl]anilino)-2-methylphenyl]methanol

C46H40N2O2 — CID 59148672

IUPAC[5-(N-[4-[4-[4-(N-(3-methoxy-4-methylphenyl)anilino)phenyl]phenyl]phenyl]anilino)-2-methylphenyl]methanol
SMILESCOc1cc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc(C)c(CO)c5)cc4)cc3)cc2)ccc1C
InChIInChI=1S/C46H40N2O2/c1-33-14-24-44(30-39(33)32-49)47(40-10-6-4-7-11-40)42-26-20-37(21-27-42)35-16-18-36(19-17-35)38-22-28-43(29-23-38)48(41-12-8-5-9-13-41)45-25-15-34(2)46(31-45)50-3/h4-31,49H,32H2,1-3H3
InChIKeyNMHNHOZSUARMLE-UHFFFAOYSA-N
MW652.84 g/mol
LogP12.08
Rot. Bonds10

About [5-(N-[4-[4-[4-(N-(3-methoxy-4-methylphenyl)anilino)phenyl]phenyl]phenyl]anilino)-2-methylphenyl]methanol

[5-(N-[4-[4-[4-(N-(3-methoxy-4-methylphenyl)anilino)phenyl]phenyl]phenyl]anilino)-2-methylphenyl]methanol (PubChem CID 59148672) has the molecular formula C46H40N2O2 and a molecular weight of 652.84 g/mol. Its IUPAC name is [5-(N-[4-[4-[4-(N-(3-methoxy-4-methylphenyl)anilino)phenyl]phenyl]phenyl]anilino)-2-methylphenyl]methanol.

Molecular Properties

Compound Name[5-(N-[4-[4-[4-(N-(3-methoxy-4-methylphenyl)anilino)phenyl]phenyl]phenyl]anilino)-2-methylphenyl]methanol
PubChem CID59148672
Molecular FormulaC46H40N2O2
Molecular Weight652.84 g/mol
Exact Mass652.31
IUPAC Name[5-(N-[4-[4-[4-(N-(3-methoxy-4-methylphenyl)anilino)phenyl]phenyl]phenyl]anilino)-2-methylphenyl]methanol
SMILESCOc1cc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc(C)c(CO)c5)cc4)cc3)cc2)ccc1C
InChIInChI=1S/C46H40N2O2/c1-33-14-24-44(30-39(33)32-49)47(40-10-6-4-7-11-40)42-26-20-37(21-27-42)35-16-18-36(19-17-35)38-22-28-43(29-23-38)48(41-12-8-5-9-13-41)45-25-15-34(2)46(31-45)50-3/h4-31,49H,32H2,1-3H3
InChIKeyNMHNHOZSUARMLE-UHFFFAOYSA-N
XLogP12.08
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.84
LogP ≤ 512.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]phenyl]phenyl]-3,4-dimethyl-N-phenylaniline
CID 137434908
[5-methoxy-2,4-bis(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methanol
CID 118603901
3-methoxy-N,4-dimethyl-N-phenylaniline
CID 70967371
1-N,4-N-bis(3,4-dimethylphenyl)-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59470459
6-methoxy-N-[4-[4-(N-(6-methoxynaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 101349643
4-methyl-N,N-diphenyl-3-propylaniline
CID 141411343
2-methoxy-4-(N-[4-(N-[4-[4-(N-[4-(N-(3-methoxy-4-sulfophenyl)anilino)phenyl]anilino)phenyl]phenyl]anilino)phenyl]anilino)benzenesulfonic acid
CID 90380756
[4-[N-(3,4-dimethylphenyl)-4-(hydroxymethyl)anilino]phenyl]methanol;[4-[4-[4-[4-(hydroxymethyl)-N-[4-(hydroxymethyl)-3-methylphenyl]anilino]phenyl]-N-[4-(hydroxymethyl)-3-methylphenyl]anilino]phenyl]methanol;[4-[4-(hydroxymethyl)-N-(4-phenylphenyl)anilino]phenyl]methanol;3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol;3-(N-[4-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]phenyl]anilino)phenol
CID 162220558
4-methyl-3-[[2-methyl-4-(N-phenylanilino)phenoxy]methyl]-N,N-diphenylaniline
CID 154971554
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
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

Frequently Asked Questions

What is the IUPAC name of [5-(N-[4-[4-[4-(N-(3-methoxy-4-methylphenyl)anilino)phenyl]phenyl]phenyl]anilino)-2-methylphenyl]methanol?
The IUPAC name of [5-(N-[4-[4-[4-(N-(3-methoxy-4-methylphenyl)anilino)phenyl]phenyl]phenyl]anilino)-2-methylphenyl]methanol (CID 59148672) is [5-(N-[4-[4-[4-(N-(3-methoxy-4-methylphenyl)anilino)phenyl]phenyl]phenyl]anilino)-2-methylphenyl]methanol.
What is the SMILES notation for [5-(N-[4-[4-[4-(N-(3-methoxy-4-methylphenyl)anilino)phenyl]phenyl]phenyl]anilino)-2-methylphenyl]methanol?
The canonical SMILES for [5-(N-[4-[4-[4-(N-(3-methoxy-4-methylphenyl)anilino)phenyl]phenyl]phenyl]anilino)-2-methylphenyl]methanol is COc1cc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc(C)c(CO)c5)cc4)cc3)cc2)ccc1C.
What is the InChIKey of [5-(N-[4-[4-[4-(N-(3-methoxy-4-methylphenyl)anilino)phenyl]phenyl]phenyl]anilino)-2-methylphenyl]methanol?
The InChIKey is NMHNHOZSUARMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H40N2O2/c1-33-14-24-44(30-39(33)32-49)47(40-10-6-4-7-11-40)42-26-20-37(21-27-42)35-16-18-36(19-17-35)38-22-28-43(29-23-38)48(41-12-8-5-9-13-41)45-25-15-34(2)46(31-45)50-3/h4-31,49H,32H2,1-3H3.
What are the key properties of [5-(N-[4-[4-[4-(N-(3-methoxy-4-methylphenyl)anilino)phenyl]phenyl]phenyl]anilino)-2-methylphenyl]methanol?
[5-(N-[4-[4-[4-(N-(3-methoxy-4-methylphenyl)anilino)phenyl]phenyl]phenyl]anilino)-2-methylphenyl]methanol has a molecular weight of 652.84 g/mol, XLogP of 12.08, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(N-[4-[4-[4-(N-(3-methoxy-4-methylphenyl)anilino)phenyl]phenyl]phenyl]anilino)-2-methylphenyl]methanol is sourced from PubChem (CID 59148672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).