9-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenylcarbazole

C42H25NO2 — CID 170285075

IUPAC9-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)oc4c(-c6cccc7c6oc6ccccc67)cccc45)c3c2)cc1
InChIInChI=1S/C42H25NO2/c1-2-10-26(11-3-1)27-20-22-30-29-12-4-6-18-37(29)43(38(30)24-27)28-21-23-32-34-15-9-17-36(42(34)45-40(32)25-28)35-16-8-14-33-31-13-5-7-19-39(31)44-41(33)35/h1-25H
InChIKeyHAIVPZIJJFSBSW-UHFFFAOYSA-N
MW575.67 g/mol
LogP11.92
Rot. Bonds3

About 9-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenylcarbazole

9-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenylcarbazole (PubChem CID 170285075) has the molecular formula C42H25NO2 and a molecular weight of 575.67 g/mol. Its IUPAC name is 9-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenylcarbazole.

Molecular Properties

Compound Name9-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenylcarbazole
PubChem CID170285075
Molecular FormulaC42H25NO2
Molecular Weight575.67 g/mol
Exact Mass575.19
IUPAC Name9-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)oc4c(-c6cccc7c6oc6ccccc67)cccc45)c3c2)cc1
InChIInChI=1S/C42H25NO2/c1-2-10-26(11-3-1)27-20-22-30-29-12-4-6-18-37(29)43(38(30)24-27)28-21-23-32-34-15-9-17-36(42(34)45-40(32)25-28)35-16-8-14-33-31-13-5-7-19-39(31)44-41(33)35/h1-25H
InChIKeyHAIVPZIJJFSBSW-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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Frequently Asked Questions

What is the IUPAC name of 9-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenylcarbazole?
The IUPAC name of 9-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenylcarbazole (CID 170285075) is 9-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenylcarbazole.
What is the SMILES notation for 9-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenylcarbazole?
The canonical SMILES for 9-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenylcarbazole is c1ccc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)oc4c(-c6cccc7c6oc6ccccc67)cccc45)c3c2)cc1.
What is the InChIKey of 9-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenylcarbazole?
The InChIKey is HAIVPZIJJFSBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NO2/c1-2-10-26(11-3-1)27-20-22-30-29-12-4-6-18-37(29)43(38(30)24-27)28-21-23-32-34-15-9-17-36(42(34)45-40(32)25-28)35-16-8-14-33-31-13-5-7-19-39(31)44-41(33)35/h1-25H.
What are the key properties of 9-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenylcarbazole?
9-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-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-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenylcarbazole is sourced from PubChem (CID 170285075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).