N-(4-dibenzofuran-4-ylphenyl)-N-methyl-9-phenylcarbazol-3-amine

C37H26N2O — CID 126631479

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-methyl-9-phenylcarbazol-3-amine
SMILESCN(c1ccc(-c2cccc3c2oc2ccccc23)cc1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C37H26N2O/c1-38(26-20-18-25(19-21-26)29-14-9-15-32-31-13-6-8-17-36(31)40-37(29)32)28-22-23-35-33(24-28)30-12-5-7-16-34(30)39(35)27-10-3-2-4-11-27/h2-24H,1H3
InChIKeyDPIBPYOEUHQWMV-UHFFFAOYSA-N
MW514.63 g/mol
LogP10.12
Rot. Bonds4

About N-(4-dibenzofuran-4-ylphenyl)-N-methyl-9-phenylcarbazol-3-amine

N-(4-dibenzofuran-4-ylphenyl)-N-methyl-9-phenylcarbazol-3-amine (PubChem CID 126631479) has the molecular formula C37H26N2O and a molecular weight of 514.63 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-methyl-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-methyl-9-phenylcarbazol-3-amine
PubChem CID126631479
Molecular FormulaC37H26N2O
Molecular Weight514.63 g/mol
Exact Mass514.20
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-methyl-9-phenylcarbazol-3-amine
SMILESCN(c1ccc(-c2cccc3c2oc2ccccc23)cc1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C37H26N2O/c1-38(26-20-18-25(19-21-26)29-14-9-15-32-31-13-6-8-17-36(31)40-37(29)32)28-22-23-35-33(24-28)30-12-5-7-16-34(30)39(35)27-10-3-2-4-11-27/h2-24H,1H3
InChIKeyDPIBPYOEUHQWMV-UHFFFAOYSA-N
XLogP10.12
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.63
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-methyl-9-phenylcarbazol-3-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-methyl-9-phenylcarbazol-3-amine (CID 126631479) is N-(4-dibenzofuran-4-ylphenyl)-N-methyl-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-methyl-9-phenylcarbazol-3-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-methyl-9-phenylcarbazol-3-amine is CN(c1ccc(-c2cccc3c2oc2ccccc23)cc1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-methyl-9-phenylcarbazol-3-amine?
The InChIKey is DPIBPYOEUHQWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2O/c1-38(26-20-18-25(19-21-26)29-14-9-15-32-31-13-6-8-17-36(31)40-37(29)32)28-22-23-35-33(24-28)30-12-5-7-16-34(30)39(35)27-10-3-2-4-11-27/h2-24H,1H3.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-methyl-9-phenylcarbazol-3-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-methyl-9-phenylcarbazol-3-amine has a molecular weight of 514.63 g/mol, XLogP of 10.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-methyl-9-phenylcarbazol-3-amine is sourced from PubChem (CID 126631479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).