1-(N-benzyl-3-methoxyanilino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol

C29H26Br2N2O2 — CID 72696611

IUPAC1-(N-benzyl-3-methoxyanilino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
SMILESCOc1cccc(N(Cc2ccccc2)CC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c1
InChIInChI=1S/C29H26Br2N2O2/c1-35-25-9-5-8-23(16-25)32(17-20-6-3-2-4-7-20)18-24(34)19-33-28-12-10-21(30)14-26(28)27-15-22(31)11-13-29(27)33/h2-16,24,34H,17-19H2,1H3
InChIKeyYZNYZKFONASOAT-UHFFFAOYSA-N
MW594.35 g/mol
LogP7.40
Rot. Bonds8

About 1-(N-benzyl-3-methoxyanilino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol

1-(N-benzyl-3-methoxyanilino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol (PubChem CID 72696611) has the molecular formula C29H26Br2N2O2 and a molecular weight of 594.35 g/mol. Its IUPAC name is 1-(N-benzyl-3-methoxyanilino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name1-(N-benzyl-3-methoxyanilino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
PubChem CID72696611
Molecular FormulaC29H26Br2N2O2
Molecular Weight594.35 g/mol
Exact Mass592.04
IUPAC Name1-(N-benzyl-3-methoxyanilino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
SMILESCOc1cccc(N(Cc2ccccc2)CC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c1
InChIInChI=1S/C29H26Br2N2O2/c1-35-25-9-5-8-23(16-25)32(17-20-6-3-2-4-7-20)18-24(34)19-33-28-12-10-21(30)14-26(28)27-15-22(31)11-13-29(27)33/h2-16,24,34H,17-19H2,1H3
InChIKeyYZNYZKFONASOAT-UHFFFAOYSA-N
XLogP7.40
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.35
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(N-benzyl-3-methoxyanilino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(N-benzyl-3-methoxyanilino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
The IUPAC name of 1-(N-benzyl-3-methoxyanilino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol (CID 72696611) is 1-(N-benzyl-3-methoxyanilino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for 1-(N-benzyl-3-methoxyanilino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
The canonical SMILES for 1-(N-benzyl-3-methoxyanilino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol is COc1cccc(N(Cc2ccccc2)CC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c1.
What is the InChIKey of 1-(N-benzyl-3-methoxyanilino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
The InChIKey is YZNYZKFONASOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26Br2N2O2/c1-35-25-9-5-8-23(16-25)32(17-20-6-3-2-4-7-20)18-24(34)19-33-28-12-10-21(30)14-26(28)27-15-22(31)11-13-29(27)33/h2-16,24,34H,17-19H2,1H3.
What are the key properties of 1-(N-benzyl-3-methoxyanilino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
1-(N-benzyl-3-methoxyanilino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol has a molecular weight of 594.35 g/mol, XLogP of 7.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-benzyl-3-methoxyanilino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 72696611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).