9-[5-(3-dibenzofuran-4-ylcarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile

C42H24N4O — CID 139303936

IUPAC9-[5-(3-dibenzofuran-4-ylcarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccccc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)cn1
InChIInChI=1S/C42H24N4O/c43-24-26-16-19-39-34(22-26)30-8-2-5-14-37(30)46(39)41-21-18-28(25-44-41)45-36-13-4-1-9-31(36)35-23-27(17-20-38(35)45)29-11-7-12-33-32-10-3-6-15-40(32)47-42(29)33/h1-23,25H
InChIKeyLQBOXQWOBFFLKX-UHFFFAOYSA-N
MW600.68 g/mol
LogP10.71
Rot. Bonds3

About 9-[5-(3-dibenzofuran-4-ylcarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile

9-[5-(3-dibenzofuran-4-ylcarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile (PubChem CID 139303936) has the molecular formula C42H24N4O and a molecular weight of 600.68 g/mol. Its IUPAC name is 9-[5-(3-dibenzofuran-4-ylcarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[5-(3-dibenzofuran-4-ylcarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile
PubChem CID139303936
Molecular FormulaC42H24N4O
Molecular Weight600.68 g/mol
Exact Mass600.20
IUPAC Name9-[5-(3-dibenzofuran-4-ylcarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccccc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)cn1
InChIInChI=1S/C42H24N4O/c43-24-26-16-19-39-34(22-26)30-8-2-5-14-37(30)46(39)41-21-18-28(25-44-41)45-36-13-4-1-9-31(36)35-23-27(17-20-38(35)45)29-11-7-12-33-32-10-3-6-15-40(32)47-42(29)33/h1-23,25H
InChIKeyLQBOXQWOBFFLKX-UHFFFAOYSA-N
XLogP10.71
TPSA59.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.68
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-dibenzofuran-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 126580279
3-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 126580295
9-(10-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepin-2-yl)carbazole-3-carbonitrile
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9-[4-[4-(3-dibenzofuran-4-yl-6-isocyanocarbazol-9-yl)-2-methylphenyl]-3-methylphenyl]carbazole-3-carbonitrile
CID 140850505
3-[3-[4-(7-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzonitrile
CID 129087220
7-dibenzofuran-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 126580289
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
9-(6-cyano-8-dibenzofuran-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile
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3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
3-[4-anilino-3-(3-dibenzofuran-4-ylphenyl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile
CID 121262064
9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
CID 58099745
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole
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Frequently Asked Questions

What is the IUPAC name of 9-[5-(3-dibenzofuran-4-ylcarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[5-(3-dibenzofuran-4-ylcarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile (CID 139303936) is 9-[5-(3-dibenzofuran-4-ylcarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[5-(3-dibenzofuran-4-ylcarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[5-(3-dibenzofuran-4-ylcarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccccc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)cn1.
What is the InChIKey of 9-[5-(3-dibenzofuran-4-ylcarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile?
The InChIKey is LQBOXQWOBFFLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4O/c43-24-26-16-19-39-34(22-26)30-8-2-5-14-37(30)46(39)41-21-18-28(25-44-41)45-36-13-4-1-9-31(36)35-23-27(17-20-38(35)45)29-11-7-12-33-32-10-3-6-15-40(32)47-42(29)33/h1-23,25H.
What are the key properties of 9-[5-(3-dibenzofuran-4-ylcarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile?
9-[5-(3-dibenzofuran-4-ylcarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile has a molecular weight of 600.68 g/mol, XLogP of 10.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(3-dibenzofuran-4-ylcarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile is sourced from PubChem (CID 139303936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).