9-[7-(3-phenylnaphthalen-1-yl)dibenzofuran-4-yl]carbazole

C40H25NO — CID 146335839

IUPAC9-[7-(3-phenylnaphthalen-1-yl)dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)oc3c(-n5c6ccccc6c6ccccc65)cccc34)c3ccccc3c2)cc1
InChIInChI=1S/C40H25NO/c1-2-11-26(12-3-1)29-23-27-13-4-5-14-30(27)35(24-29)28-21-22-33-34-17-10-20-38(40(34)42-39(33)25-28)41-36-18-8-6-15-31(36)32-16-7-9-19-37(32)41/h1-25H
InChIKeySSEAMNWQFMTOMD-UHFFFAOYSA-N
MW535.65 g/mol
LogP11.17
Rot. Bonds3

About 9-[7-(3-phenylnaphthalen-1-yl)dibenzofuran-4-yl]carbazole

9-[7-(3-phenylnaphthalen-1-yl)dibenzofuran-4-yl]carbazole (PubChem CID 146335839) has the molecular formula C40H25NO and a molecular weight of 535.65 g/mol. Its IUPAC name is 9-[7-(3-phenylnaphthalen-1-yl)dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name9-[7-(3-phenylnaphthalen-1-yl)dibenzofuran-4-yl]carbazole
PubChem CID146335839
Molecular FormulaC40H25NO
Molecular Weight535.65 g/mol
Exact Mass535.19
IUPAC Name9-[7-(3-phenylnaphthalen-1-yl)dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)oc3c(-n5c6ccccc6c6ccccc65)cccc34)c3ccccc3c2)cc1
InChIInChI=1S/C40H25NO/c1-2-11-26(12-3-1)29-23-27-13-4-5-14-30(27)35(24-29)28-21-22-33-34-17-10-20-38(40(34)42-39(33)25-28)41-36-18-8-6-15-31(36)32-16-7-9-19-37(32)41/h1-25H
InChIKeySSEAMNWQFMTOMD-UHFFFAOYSA-N
XLogP11.17
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 9-[7-(3-phenylnaphthalen-1-yl)dibenzofuran-4-yl]carbazole?
The IUPAC name of 9-[7-(3-phenylnaphthalen-1-yl)dibenzofuran-4-yl]carbazole (CID 146335839) is 9-[7-(3-phenylnaphthalen-1-yl)dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 9-[7-(3-phenylnaphthalen-1-yl)dibenzofuran-4-yl]carbazole?
The canonical SMILES for 9-[7-(3-phenylnaphthalen-1-yl)dibenzofuran-4-yl]carbazole is c1ccc(-c2cc(-c3ccc4c(c3)oc3c(-n5c6ccccc6c6ccccc65)cccc34)c3ccccc3c2)cc1.
What is the InChIKey of 9-[7-(3-phenylnaphthalen-1-yl)dibenzofuran-4-yl]carbazole?
The InChIKey is SSEAMNWQFMTOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NO/c1-2-11-26(12-3-1)29-23-27-13-4-5-14-30(27)35(24-29)28-21-22-33-34-17-10-20-38(40(34)42-39(33)25-28)41-36-18-8-6-15-31(36)32-16-7-9-19-37(32)41/h1-25H.
What are the key properties of 9-[7-(3-phenylnaphthalen-1-yl)dibenzofuran-4-yl]carbazole?
9-[7-(3-phenylnaphthalen-1-yl)dibenzofuran-4-yl]carbazole has a molecular weight of 535.65 g/mol, XLogP of 11.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-(3-phenylnaphthalen-1-yl)dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 146335839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).