8-[2-(3-propylcarbazol-9-yl)phenyl]dibenzofuran-2-carbonitrile

C34H24N2O — CID 139566029

IUPAC8-[2-(3-propylcarbazol-9-yl)phenyl]dibenzofuran-2-carbonitrile
SMILESCCCc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccc2oc3ccc(C#N)cc3c2c1
InChIInChI=1S/C34H24N2O/c1-2-7-22-12-15-32-27(18-22)26-9-4-6-11-31(26)36(32)30-10-5-3-8-25(30)24-14-17-34-29(20-24)28-19-23(21-35)13-16-33(28)37-34/h3-6,8-20H,2,7H2,1H3
InChIKeyKQMYDJSWFARBLN-UHFFFAOYSA-N
MW476.58 g/mol
LogP9.17
Rot. Bonds4

About 8-[2-(3-propylcarbazol-9-yl)phenyl]dibenzofuran-2-carbonitrile

8-[2-(3-propylcarbazol-9-yl)phenyl]dibenzofuran-2-carbonitrile (PubChem CID 139566029) has the molecular formula C34H24N2O and a molecular weight of 476.58 g/mol. Its IUPAC name is 8-[2-(3-propylcarbazol-9-yl)phenyl]dibenzofuran-2-carbonitrile.

Molecular Properties

Compound Name8-[2-(3-propylcarbazol-9-yl)phenyl]dibenzofuran-2-carbonitrile
PubChem CID139566029
Molecular FormulaC34H24N2O
Molecular Weight476.58 g/mol
Exact Mass476.19
IUPAC Name8-[2-(3-propylcarbazol-9-yl)phenyl]dibenzofuran-2-carbonitrile
SMILESCCCc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccc2oc3ccc(C#N)cc3c2c1
InChIInChI=1S/C34H24N2O/c1-2-7-22-12-15-32-27(18-22)26-9-4-6-11-31(26)36(32)30-10-5-3-8-25(30)24-14-17-34-29(20-24)28-19-23(21-35)13-16-33(28)37-34/h3-6,8-20H,2,7H2,1H3
InChIKeyKQMYDJSWFARBLN-UHFFFAOYSA-N
XLogP9.17
TPSA41.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

18-(2-carbazol-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-6-carbonitrile
CID 126582417
4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 164743889
6-[4-(1-cyanocarbazol-9-yl)-3-dibenzofuran-2-ylphenyl]-9-(2-dibenzofuran-2-ylphenyl)carbazole-2-carbonitrile
CID 167006192
9-(9-dibenzofuran-2-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 149059833
9-[2-[2-(2-isocyano-[1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140823103
9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139303898
9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 118386470
9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile
CID 118396755
9-(9-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 149138143
9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 164957038
5-[[2-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]methyl]benzene-1,3-dicarbonitrile
CID 163457193
9-(8-dibenzothiophen-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 147349483

Frequently Asked Questions

What is the IUPAC name of 8-[2-(3-propylcarbazol-9-yl)phenyl]dibenzofuran-2-carbonitrile?
The IUPAC name of 8-[2-(3-propylcarbazol-9-yl)phenyl]dibenzofuran-2-carbonitrile (CID 139566029) is 8-[2-(3-propylcarbazol-9-yl)phenyl]dibenzofuran-2-carbonitrile.
What is the SMILES notation for 8-[2-(3-propylcarbazol-9-yl)phenyl]dibenzofuran-2-carbonitrile?
The canonical SMILES for 8-[2-(3-propylcarbazol-9-yl)phenyl]dibenzofuran-2-carbonitrile is CCCc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccc2oc3ccc(C#N)cc3c2c1.
What is the InChIKey of 8-[2-(3-propylcarbazol-9-yl)phenyl]dibenzofuran-2-carbonitrile?
The InChIKey is KQMYDJSWFARBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2O/c1-2-7-22-12-15-32-27(18-22)26-9-4-6-11-31(26)36(32)30-10-5-3-8-25(30)24-14-17-34-29(20-24)28-19-23(21-35)13-16-33(28)37-34/h3-6,8-20H,2,7H2,1H3.
What are the key properties of 8-[2-(3-propylcarbazol-9-yl)phenyl]dibenzofuran-2-carbonitrile?
8-[2-(3-propylcarbazol-9-yl)phenyl]dibenzofuran-2-carbonitrile has a molecular weight of 476.58 g/mol, XLogP of 9.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(3-propylcarbazol-9-yl)phenyl]dibenzofuran-2-carbonitrile is sourced from PubChem (CID 139566029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).