3-[4-[4-(3-methylanilino)-2,3-diphenylphenyl]anilino]phenol

C37H30N2O — CID 67762848

IUPAC3-[4-[4-(3-methylanilino)-2,3-diphenylphenyl]anilino]phenol
SMILESCc1cccc(Nc2ccc(-c3ccc(Nc4cccc(O)c4)cc3)c(-c3ccccc3)c2-c2ccccc2)c1
InChIInChI=1S/C37H30N2O/c1-26-10-8-15-31(24-26)39-35-23-22-34(27-18-20-30(21-19-27)38-32-16-9-17-33(40)25-32)36(28-11-4-2-5-12-28)37(35)29-13-6-3-7-14-29/h2-25,38-40H,1H3
InChIKeyBQAXFMRHAIEZOT-UHFFFAOYSA-N
MW518.66 g/mol
LogP10.19
Rot. Bonds7

About 3-[4-[4-(3-methylanilino)-2,3-diphenylphenyl]anilino]phenol

3-[4-[4-(3-methylanilino)-2,3-diphenylphenyl]anilino]phenol (PubChem CID 67762848) has the molecular formula C37H30N2O and a molecular weight of 518.66 g/mol. Its IUPAC name is 3-[4-[4-(3-methylanilino)-2,3-diphenylphenyl]anilino]phenol.

Molecular Properties

Compound Name3-[4-[4-(3-methylanilino)-2,3-diphenylphenyl]anilino]phenol
PubChem CID67762848
Molecular FormulaC37H30N2O
Molecular Weight518.66 g/mol
Exact Mass518.24
IUPAC Name3-[4-[4-(3-methylanilino)-2,3-diphenylphenyl]anilino]phenol
SMILESCc1cccc(Nc2ccc(-c3ccc(Nc4cccc(O)c4)cc3)c(-c3ccccc3)c2-c2ccccc2)c1
InChIInChI=1S/C37H30N2O/c1-26-10-8-15-31(24-26)39-35-23-22-34(27-18-20-30(21-19-27)38-32-16-9-17-33(40)25-32)36(28-11-4-2-5-12-28)37(35)29-13-6-3-7-14-29/h2-25,38-40H,1H3
InChIKeyBQAXFMRHAIEZOT-UHFFFAOYSA-N
XLogP10.19
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 510.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(3-methylanilino)-2,3-diphenylphenyl]anilino]phenol?
The IUPAC name of 3-[4-[4-(3-methylanilino)-2,3-diphenylphenyl]anilino]phenol (CID 67762848) is 3-[4-[4-(3-methylanilino)-2,3-diphenylphenyl]anilino]phenol.
What is the SMILES notation for 3-[4-[4-(3-methylanilino)-2,3-diphenylphenyl]anilino]phenol?
The canonical SMILES for 3-[4-[4-(3-methylanilino)-2,3-diphenylphenyl]anilino]phenol is Cc1cccc(Nc2ccc(-c3ccc(Nc4cccc(O)c4)cc3)c(-c3ccccc3)c2-c2ccccc2)c1.
What is the InChIKey of 3-[4-[4-(3-methylanilino)-2,3-diphenylphenyl]anilino]phenol?
The InChIKey is BQAXFMRHAIEZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30N2O/c1-26-10-8-15-31(24-26)39-35-23-22-34(27-18-20-30(21-19-27)38-32-16-9-17-33(40)25-32)36(28-11-4-2-5-12-28)37(35)29-13-6-3-7-14-29/h2-25,38-40H,1H3.
What are the key properties of 3-[4-[4-(3-methylanilino)-2,3-diphenylphenyl]anilino]phenol?
3-[4-[4-(3-methylanilino)-2,3-diphenylphenyl]anilino]phenol has a molecular weight of 518.66 g/mol, XLogP of 10.19, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(3-methylanilino)-2,3-diphenylphenyl]anilino]phenol is sourced from PubChem (CID 67762848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).