9-[8-(benzimidazol-1-yl)dibenzofuran-2-yl]carbazole

C31H19N3O — CID 58037524

IUPAC9-[8-(benzimidazol-1-yl)dibenzofuran-2-yl]carbazole
SMILESc1ccc2c(c1)ncn2-c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C31H19N3O/c1-4-10-27-22(7-1)23-8-2-5-11-28(23)34(27)21-14-16-31-25(18-21)24-17-20(13-15-30(24)35-31)33-19-32-26-9-3-6-12-29(26)33/h1-19H
InChIKeyLKNYUHOOXPLUBA-UHFFFAOYSA-N
MW449.51 g/mol
LogP8.02
Rot. Bonds2

About 9-[8-(benzimidazol-1-yl)dibenzofuran-2-yl]carbazole

9-[8-(benzimidazol-1-yl)dibenzofuran-2-yl]carbazole (PubChem CID 58037524) has the molecular formula C31H19N3O and a molecular weight of 449.51 g/mol. Its IUPAC name is 9-[8-(benzimidazol-1-yl)dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name9-[8-(benzimidazol-1-yl)dibenzofuran-2-yl]carbazole
PubChem CID58037524
Molecular FormulaC31H19N3O
Molecular Weight449.51 g/mol
Exact Mass449.15
IUPAC Name9-[8-(benzimidazol-1-yl)dibenzofuran-2-yl]carbazole
SMILESc1ccc2c(c1)ncn2-c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C31H19N3O/c1-4-10-27-22(7-1)23-8-2-5-11-28(23)34(27)21-14-16-31-25(18-21)24-17-20(13-15-30(24)35-31)33-19-32-26-9-3-6-12-29(26)33/h1-19H
InChIKeyLKNYUHOOXPLUBA-UHFFFAOYSA-N
XLogP8.02
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzimidazol-1-yl)-9-(6-carbazol-9-yldibenzofuran-2-yl)-6-isocyanocarbazole
CID 140850504
6-(benzimidazol-1-yl)-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile
CID 134343651
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
9-[1-(8-carbazol-9-yldibenzofuran-2-yl)-5-phenylpyrrol-3-yl]carbazole
CID 89433824
9-[16-(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 59147197
9-(16-carbazol-9-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147402
1-(7-methyldibenzofuran-3-yl)benzimidazole
CID 137490042
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole;9-[8-[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]dibenzofuran-2-yl]carbazole
CID 158645763
5-phenyl-11-(1-phenylbenzimidazol-5-yl)indolo[3,2-b]carbazole
CID 118487922
9-[4-(8-carbazol-9-yldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 89433730
9-[8-(3-sulfanylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-thiol
CID 59445003
5-(16-pyrido[3,2-b]indol-5-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)pyrido[3,2-b]indole
CID 59147166

Frequently Asked Questions

What is the IUPAC name of 9-[8-(benzimidazol-1-yl)dibenzofuran-2-yl]carbazole?
The IUPAC name of 9-[8-(benzimidazol-1-yl)dibenzofuran-2-yl]carbazole (CID 58037524) is 9-[8-(benzimidazol-1-yl)dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 9-[8-(benzimidazol-1-yl)dibenzofuran-2-yl]carbazole?
The canonical SMILES for 9-[8-(benzimidazol-1-yl)dibenzofuran-2-yl]carbazole is c1ccc2c(c1)ncn2-c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.
What is the InChIKey of 9-[8-(benzimidazol-1-yl)dibenzofuran-2-yl]carbazole?
The InChIKey is LKNYUHOOXPLUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N3O/c1-4-10-27-22(7-1)23-8-2-5-11-28(23)34(27)21-14-16-31-25(18-21)24-17-20(13-15-30(24)35-31)33-19-32-26-9-3-6-12-29(26)33/h1-19H.
What are the key properties of 9-[8-(benzimidazol-1-yl)dibenzofuran-2-yl]carbazole?
9-[8-(benzimidazol-1-yl)dibenzofuran-2-yl]carbazole has a molecular weight of 449.51 g/mol, XLogP of 8.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-(benzimidazol-1-yl)dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 58037524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).