2-[[[3,6-dichloro-8-[(2-hydroxyphenyl)methylamino]-9H-carbazol-1-yl]amino]methyl]phenol

C26H21Cl2N3O2 — CID 102431898

IUPAC2-[[[3,6-dichloro-8-[(2-hydroxyphenyl)methylamino]-9H-carbazol-1-yl]amino]methyl]phenol
SMILESOc1ccccc1CNc1cc(Cl)cc2c1[nH]c1c(NCc3ccccc3O)cc(Cl)cc12
InChIInChI=1S/C26H21Cl2N3O2/c27-17-9-19-20-10-18(28)12-22(30-14-16-6-2-4-8-24(16)33)26(20)31-25(19)21(11-17)29-13-15-5-1-3-7-23(15)32/h1-12,29-33H,13-14H2
InChIKeyHVIHVYFKCNLWOA-UHFFFAOYSA-N
MW478.38 g/mol
LogP7.26
Rot. Bonds6

About 2-[[[3,6-dichloro-8-[(2-hydroxyphenyl)methylamino]-9H-carbazol-1-yl]amino]methyl]phenol

2-[[[3,6-dichloro-8-[(2-hydroxyphenyl)methylamino]-9H-carbazol-1-yl]amino]methyl]phenol (PubChem CID 102431898) has the molecular formula C26H21Cl2N3O2 and a molecular weight of 478.38 g/mol. Its IUPAC name is 2-[[[3,6-dichloro-8-[(2-hydroxyphenyl)methylamino]-9H-carbazol-1-yl]amino]methyl]phenol.

Molecular Properties

Compound Name2-[[[3,6-dichloro-8-[(2-hydroxyphenyl)methylamino]-9H-carbazol-1-yl]amino]methyl]phenol
PubChem CID102431898
Molecular FormulaC26H21Cl2N3O2
Molecular Weight478.38 g/mol
Exact Mass477.10
IUPAC Name2-[[[3,6-dichloro-8-[(2-hydroxyphenyl)methylamino]-9H-carbazol-1-yl]amino]methyl]phenol
SMILESOc1ccccc1CNc1cc(Cl)cc2c1[nH]c1c(NCc3ccccc3O)cc(Cl)cc12
InChIInChI=1S/C26H21Cl2N3O2/c27-17-9-19-20-10-18(28)12-22(30-14-16-6-2-4-8-24(16)33)26(20)31-25(19)21(11-17)29-13-15-5-1-3-7-23(15)32/h1-12,29-33H,13-14H2
InChIKeyHVIHVYFKCNLWOA-UHFFFAOYSA-N
XLogP7.26
TPSA80.31 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.38
LogP ≤ 57.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[[[3,6-dichloro-8-[(2-hydroxyphenyl)methylamino]-9H-carbazol-1-yl]amino]methyl]phenol with MolForge

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Related Compounds

2-[(5-chloro-2-ethoxyanilino)methyl]phenol
CID 54865428
4-chloro-2-[(2-hydroxyphenyl)methylamino]benzonitrile
CID 43681545
2-[[2-(hydroxymethyl)anilino]methyl]phenol
CID 43743175
3-[(5-chloro-2-methoxyanilino)methyl]benzene-1,2-diol
CID 61319274
2-[(2-methylanilino)methyl]phenol
CID 3240149
2-[(3,4-dichloroanilino)methyl]phenol
CID 5078127
4-chloro-2-[(2-methylsulfanylanilino)methyl]phenol
CID 43683485
2,4-dichloro-6-[(2-ethylanilino)methyl]phenol
CID 28525259
2-[(2-bromoanilino)methyl]phenol;hydrochloride
CID 126460187
5-chloro-N-[(2-chlorophenyl)methyl]-2-fluoroaniline
CID 43385670
3-[(5-chloro-2-ethoxyanilino)methyl]benzene-1,2-diol
CID 61319929
2-chloro-6-[(5-chloro-2-fluoroanilino)methyl]phenol
CID 112606398

Frequently Asked Questions

What is the IUPAC name of 2-[[[3,6-dichloro-8-[(2-hydroxyphenyl)methylamino]-9H-carbazol-1-yl]amino]methyl]phenol?
The IUPAC name of 2-[[[3,6-dichloro-8-[(2-hydroxyphenyl)methylamino]-9H-carbazol-1-yl]amino]methyl]phenol (CID 102431898) is 2-[[[3,6-dichloro-8-[(2-hydroxyphenyl)methylamino]-9H-carbazol-1-yl]amino]methyl]phenol.
What is the SMILES notation for 2-[[[3,6-dichloro-8-[(2-hydroxyphenyl)methylamino]-9H-carbazol-1-yl]amino]methyl]phenol?
The canonical SMILES for 2-[[[3,6-dichloro-8-[(2-hydroxyphenyl)methylamino]-9H-carbazol-1-yl]amino]methyl]phenol is Oc1ccccc1CNc1cc(Cl)cc2c1[nH]c1c(NCc3ccccc3O)cc(Cl)cc12.
What is the InChIKey of 2-[[[3,6-dichloro-8-[(2-hydroxyphenyl)methylamino]-9H-carbazol-1-yl]amino]methyl]phenol?
The InChIKey is HVIHVYFKCNLWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl2N3O2/c27-17-9-19-20-10-18(28)12-22(30-14-16-6-2-4-8-24(16)33)26(20)31-25(19)21(11-17)29-13-15-5-1-3-7-23(15)32/h1-12,29-33H,13-14H2.
What are the key properties of 2-[[[3,6-dichloro-8-[(2-hydroxyphenyl)methylamino]-9H-carbazol-1-yl]amino]methyl]phenol?
2-[[[3,6-dichloro-8-[(2-hydroxyphenyl)methylamino]-9H-carbazol-1-yl]amino]methyl]phenol has a molecular weight of 478.38 g/mol, XLogP of 7.26, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3,6-dichloro-8-[(2-hydroxyphenyl)methylamino]-9H-carbazol-1-yl]amino]methyl]phenol is sourced from PubChem (CID 102431898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).