3-(carbazol-9-ylmethyl)-4-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)benzonitrile

C44H27N3O — CID 167415116

IUPAC3-(carbazol-9-ylmethyl)-4-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccc3c4c5oc6ccccc6c5ccc4n(-c4ccccc4)c3c2)c(Cn2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C44H27N3O/c45-26-28-18-20-32(30(24-28)27-46-38-15-7-4-12-33(38)34-13-5-8-16-39(34)46)29-19-21-37-41(25-29)47(31-10-2-1-3-11-31)40-23-22-36-35-14-6-9-17-42(35)48-44(36)43(37)40/h1-25H,27H2
InChIKeyXOFNSPOMSGDMEP-UHFFFAOYSA-N
MW613.72 g/mol
LogP11.38
Rot. Bonds4

About 3-(carbazol-9-ylmethyl)-4-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)benzonitrile

3-(carbazol-9-ylmethyl)-4-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)benzonitrile (PubChem CID 167415116) has the molecular formula C44H27N3O and a molecular weight of 613.72 g/mol. Its IUPAC name is 3-(carbazol-9-ylmethyl)-4-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)benzonitrile.

Molecular Properties

Compound Name3-(carbazol-9-ylmethyl)-4-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)benzonitrile
PubChem CID167415116
Molecular FormulaC44H27N3O
Molecular Weight613.72 g/mol
Exact Mass613.22
IUPAC Name3-(carbazol-9-ylmethyl)-4-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccc3c4c5oc6ccccc6c5ccc4n(-c4ccccc4)c3c2)c(Cn2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C44H27N3O/c45-26-28-18-20-32(30(24-28)27-46-38-15-7-4-12-33(38)34-13-5-8-16-39(34)46)29-19-21-37-41(25-29)47(31-10-2-1-3-11-31)40-23-22-36-35-14-6-9-17-42(35)48-44(36)43(37)40/h1-25H,27H2
InChIKeyXOFNSPOMSGDMEP-UHFFFAOYSA-N
XLogP11.38
TPSA46.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.72
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzonitrile
CID 129291151
9-[4-methyl-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]carbazole-3-carbonitrile
CID 146594001
4-[4-(15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaen-24-yl)phenyl]benzonitrile
CID 126679075
9-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 139339852
3-[3-[4-(7-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzonitrile
CID 129087220
5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 140840864
3-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-phenylbenzonitrile
CID 139340065
4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 144644730
5-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-cyanophenyl]-[1]benzofuro[3,2-c]carbazole-9-carbonitrile
CID 129291257
5-phenyl-3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 142347126
9-[3-cyano-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]carbazole-3-carbonitrile
CID 126577577
3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(4-phenylcarbazol-9-yl)benzonitrile
CID 129291106

Frequently Asked Questions

What is the IUPAC name of 3-(carbazol-9-ylmethyl)-4-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)benzonitrile?
The IUPAC name of 3-(carbazol-9-ylmethyl)-4-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)benzonitrile (CID 167415116) is 3-(carbazol-9-ylmethyl)-4-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)benzonitrile.
What is the SMILES notation for 3-(carbazol-9-ylmethyl)-4-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)benzonitrile?
The canonical SMILES for 3-(carbazol-9-ylmethyl)-4-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)benzonitrile is N#Cc1ccc(-c2ccc3c4c5oc6ccccc6c5ccc4n(-c4ccccc4)c3c2)c(Cn2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 3-(carbazol-9-ylmethyl)-4-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)benzonitrile?
The InChIKey is XOFNSPOMSGDMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N3O/c45-26-28-18-20-32(30(24-28)27-46-38-15-7-4-12-33(38)34-13-5-8-16-39(34)46)29-19-21-37-41(25-29)47(31-10-2-1-3-11-31)40-23-22-36-35-14-6-9-17-42(35)48-44(36)43(37)40/h1-25H,27H2.
What are the key properties of 3-(carbazol-9-ylmethyl)-4-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)benzonitrile?
3-(carbazol-9-ylmethyl)-4-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)benzonitrile has a molecular weight of 613.72 g/mol, XLogP of 11.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbazol-9-ylmethyl)-4-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)benzonitrile is sourced from PubChem (CID 167415116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).