9-cyclohexa-1,3-dien-1-yl-3,6-di(dibenzofuran-2-yl)carbazole

C42H27NO2 — CID 134223168

IUPAC9-cyclohexa-1,3-dien-1-yl-3,6-di(dibenzofuran-2-yl)carbazole
SMILESC1=CCCC(n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)=C1
InChIInChI=1S/C42H27NO2/c1-2-8-30(9-3-1)43-37-18-14-26(28-16-20-41-35(24-28)31-10-4-6-12-39(31)44-41)22-33(37)34-23-27(15-19-38(34)43)29-17-21-42-36(25-29)32-11-5-7-13-40(32)45-42/h1-2,4-8,10-25H,3,9H2
InChIKeyYRBDRIANODFOBF-UHFFFAOYSA-N
MW577.68 g/mol
LogP12.12
Rot. Bonds3

About 9-cyclohexa-1,3-dien-1-yl-3,6-di(dibenzofuran-2-yl)carbazole

9-cyclohexa-1,3-dien-1-yl-3,6-di(dibenzofuran-2-yl)carbazole (PubChem CID 134223168) has the molecular formula C42H27NO2 and a molecular weight of 577.68 g/mol. Its IUPAC name is 9-cyclohexa-1,3-dien-1-yl-3,6-di(dibenzofuran-2-yl)carbazole.

Molecular Properties

Compound Name9-cyclohexa-1,3-dien-1-yl-3,6-di(dibenzofuran-2-yl)carbazole
PubChem CID134223168
Molecular FormulaC42H27NO2
Molecular Weight577.68 g/mol
Exact Mass577.20
IUPAC Name9-cyclohexa-1,3-dien-1-yl-3,6-di(dibenzofuran-2-yl)carbazole
SMILESC1=CCCC(n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)=C1
InChIInChI=1S/C42H27NO2/c1-2-8-30(9-3-1)43-37-18-14-26(28-16-20-41-35(24-28)31-10-4-6-12-39(31)44-41)22-33(37)34-23-27(15-19-38(34)43)29-17-21-42-36(25-29)32-11-5-7-13-40(32)45-42/h1-2,4-8,10-25H,3,9H2
InChIKeyYRBDRIANODFOBF-UHFFFAOYSA-N
XLogP12.12
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.68
LogP ≤ 512.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-1,3-dien-1-yl-3,6-di(dibenzofuran-2-yl)carbazole?
The IUPAC name of 9-cyclohexa-1,3-dien-1-yl-3,6-di(dibenzofuran-2-yl)carbazole (CID 134223168) is 9-cyclohexa-1,3-dien-1-yl-3,6-di(dibenzofuran-2-yl)carbazole.
What is the SMILES notation for 9-cyclohexa-1,3-dien-1-yl-3,6-di(dibenzofuran-2-yl)carbazole?
The canonical SMILES for 9-cyclohexa-1,3-dien-1-yl-3,6-di(dibenzofuran-2-yl)carbazole is C1=CCCC(n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)=C1.
What is the InChIKey of 9-cyclohexa-1,3-dien-1-yl-3,6-di(dibenzofuran-2-yl)carbazole?
The InChIKey is YRBDRIANODFOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NO2/c1-2-8-30(9-3-1)43-37-18-14-26(28-16-20-41-35(24-28)31-10-4-6-12-39(31)44-41)22-33(37)34-23-27(15-19-38(34)43)29-17-21-42-36(25-29)32-11-5-7-13-40(32)45-42/h1-2,4-8,10-25H,3,9H2.
What are the key properties of 9-cyclohexa-1,3-dien-1-yl-3,6-di(dibenzofuran-2-yl)carbazole?
9-cyclohexa-1,3-dien-1-yl-3,6-di(dibenzofuran-2-yl)carbazole has a molecular weight of 577.68 g/mol, XLogP of 12.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-1,3-dien-1-yl-3,6-di(dibenzofuran-2-yl)carbazole is sourced from PubChem (CID 134223168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).