9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole

C42H25NO2 — CID 147201109

IUPAC9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2oc2ccc(-c4ccc5c(c4)oc4ccccc45)cc23)cc1
InChIInChI=1S/C42H25NO2/c1-2-9-26(10-3-1)27-18-21-37-34(23-27)30-11-4-6-14-36(30)43(37)38-15-8-13-33-35-24-28(19-22-40(35)45-42(33)38)29-17-20-32-31-12-5-7-16-39(31)44-41(32)25-29/h1-25H
InChIKeyCDILXFHDNQHCHI-UHFFFAOYSA-N
MW575.67 g/mol
LogP11.92
Rot. Bonds3

About 9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole

9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole (PubChem CID 147201109) has the molecular formula C42H25NO2 and a molecular weight of 575.67 g/mol. Its IUPAC name is 9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole.

Molecular Properties

Compound Name9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
PubChem CID147201109
Molecular FormulaC42H25NO2
Molecular Weight575.67 g/mol
Exact Mass575.19
IUPAC Name9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2oc2ccc(-c4ccc5c(c4)oc4ccccc45)cc23)cc1
InChIInChI=1S/C42H25NO2/c1-2-9-26(10-3-1)27-18-21-37-34(23-27)30-11-4-6-14-36(30)43(37)38-15-8-13-33-35-24-28(19-22-40(35)45-42(33)38)29-17-20-32-31-12-5-7-16-39(31)44-41(32)25-29/h1-25H
InChIKeyCDILXFHDNQHCHI-UHFFFAOYSA-N
XLogP11.92
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.67
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole?
The IUPAC name of 9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole (CID 147201109) is 9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole.
What is the SMILES notation for 9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole?
The canonical SMILES for 9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2oc2ccc(-c4ccc5c(c4)oc4ccccc45)cc23)cc1.
What is the InChIKey of 9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole?
The InChIKey is CDILXFHDNQHCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NO2/c1-2-9-26(10-3-1)27-18-21-37-34(23-27)30-11-4-6-14-36(30)43(37)38-15-8-13-33-35-24-28(19-22-40(35)45-42(33)38)29-17-20-32-31-12-5-7-16-39(31)44-41(32)25-29/h1-25H.
What are the key properties of 9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole?
9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole has a molecular weight of 575.67 g/mol, XLogP of 11.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole is sourced from PubChem (CID 147201109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).