N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-9-(4-methylphenyl)carbazol-3-amine

C43H28N2O2 — CID 138717147

IUPACN-dibenzofuran-1-yl-N-dibenzofuran-3-yl-9-(4-methylphenyl)carbazol-3-amine
SMILESCc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5oc6ccccc6c45)ccc32)cc1
InChIInChI=1S/C43H28N2O2/c1-27-17-19-28(20-18-27)45-36-12-5-2-9-31(36)35-25-29(22-24-37(35)45)44(30-21-23-33-32-10-3-6-14-39(32)47-42(33)26-30)38-13-8-16-41-43(38)34-11-4-7-15-40(34)46-41/h2-26H,1H3
InChIKeyJSYCVPXOJMBALO-UHFFFAOYSA-N
MW604.71 g/mol
LogP12.36
Rot. Bonds4

About N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-9-(4-methylphenyl)carbazol-3-amine

N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-9-(4-methylphenyl)carbazol-3-amine (PubChem CID 138717147) has the molecular formula C43H28N2O2 and a molecular weight of 604.71 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-9-(4-methylphenyl)carbazol-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-dibenzofuran-3-yl-9-(4-methylphenyl)carbazol-3-amine
PubChem CID138717147
Molecular FormulaC43H28N2O2
Molecular Weight604.71 g/mol
Exact Mass604.22
IUPAC NameN-dibenzofuran-1-yl-N-dibenzofuran-3-yl-9-(4-methylphenyl)carbazol-3-amine
SMILESCc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5oc6ccccc6c45)ccc32)cc1
InChIInChI=1S/C43H28N2O2/c1-27-17-19-28(20-18-27)45-36-12-5-2-9-31(36)35-25-29(22-24-37(35)45)44(30-21-23-33-32-10-3-6-14-39(32)47-42(33)26-30)38-13-8-16-41-43(38)34-11-4-7-15-40(34)46-41/h2-26H,1H3
InChIKeyJSYCVPXOJMBALO-UHFFFAOYSA-N
XLogP12.36
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms47
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.71
LogP ≤ 512.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-9-(4-methylphenyl)carbazol-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-9-(4-methylphenyl)carbazol-3-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-9-(4-methylphenyl)carbazol-3-amine (CID 138717147) is N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-9-(4-methylphenyl)carbazol-3-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-9-(4-methylphenyl)carbazol-3-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-9-(4-methylphenyl)carbazol-3-amine is Cc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5oc6ccccc6c45)ccc32)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-9-(4-methylphenyl)carbazol-3-amine?
The InChIKey is JSYCVPXOJMBALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2O2/c1-27-17-19-28(20-18-27)45-36-12-5-2-9-31(36)35-25-29(22-24-37(35)45)44(30-21-23-33-32-10-3-6-14-39(32)47-42(33)26-30)38-13-8-16-41-43(38)34-11-4-7-15-40(34)46-41/h2-26H,1H3.
What are the key properties of N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-9-(4-methylphenyl)carbazol-3-amine?
N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-9-(4-methylphenyl)carbazol-3-amine has a molecular weight of 604.71 g/mol, XLogP of 12.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-9-(4-methylphenyl)carbazol-3-amine is sourced from PubChem (CID 138717147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).