9-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]carbazole

C28H21NO — CID 123396912

IUPAC9-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]carbazole
SMILESCc1oc2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cccc2c1C
InChIInChI=1S/C28H21NO/c1-18-19(2)30-28-22(18)10-7-11-23(28)20-14-16-21(17-15-20)29-26-12-5-3-8-24(26)25-9-4-6-13-27(25)29/h3-17H,1-2H3
InChIKeyLHSNIGAJBMKQHA-UHFFFAOYSA-N
MW387.48 g/mol
LogP7.81
Rot. Bonds2

About 9-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]carbazole

9-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]carbazole (PubChem CID 123396912) has the molecular formula C28H21NO and a molecular weight of 387.48 g/mol. Its IUPAC name is 9-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]carbazole
PubChem CID123396912
Molecular FormulaC28H21NO
Molecular Weight387.48 g/mol
Exact Mass387.16
IUPAC Name9-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]carbazole
SMILESCc1oc2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cccc2c1C
InChIInChI=1S/C28H21NO/c1-18-19(2)30-28-22(18)10-7-11-23(28)20-14-16-21(17-15-20)29-26-12-5-3-8-24(26)25-9-4-6-13-27(25)29/h3-17H,1-2H3
InChIKeyLHSNIGAJBMKQHA-UHFFFAOYSA-N
XLogP7.81
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(4-methylphenyl)-2-(6-phenyldibenzofuran-4-yl)carbazole
CID 118509061
[6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]boronic acid
CID 90125806
9-(4-dibenzofuran-4-ylphenyl)-3-methylcarbazole
CID 129128081
9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041264
4-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168635
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 121449395
N,N-bis(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylaniline
CID 58510642
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]carbazole
CID 134370621
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-1-methylcarbazole
CID 163908645
9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole
CID 58939501
6-(4-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]pyridine
CID 122692971
9-phenyl-3-[3-(6-phenyldibenzofuran-4-yl)-5-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-[3-(6-phenyldibenzofuran-4-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 159217991

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]carbazole (CID 123396912) is 9-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]carbazole is Cc1oc2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cccc2c1C.
What is the InChIKey of 9-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]carbazole?
The InChIKey is LHSNIGAJBMKQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NO/c1-18-19(2)30-28-22(18)10-7-11-23(28)20-14-16-21(17-15-20)29-26-12-5-3-8-24(26)25-9-4-6-13-27(25)29/h3-17H,1-2H3.
What are the key properties of 9-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]carbazole?
9-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]carbazole has a molecular weight of 387.48 g/mol, XLogP of 7.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]carbazole is sourced from PubChem (CID 123396912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).