9-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile

C44H24N4O — CID 139339852

IUPAC9-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4ccccc4c4cc(C#N)ccc43)cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)c1
InChIInChI=1S/C44H24N4O/c45-25-27-8-7-9-29(20-27)30-22-31(47-38-13-4-1-10-33(38)37-21-28(26-46)16-18-40(37)47)24-32(23-30)48-39-14-5-2-12-36(39)43-41(48)19-17-35-34-11-3-6-15-42(34)49-44(35)43/h1-24H
InChIKeyJGCDTUHPOQZMNY-UHFFFAOYSA-N
MW624.70 g/mol
LogP11.19
Rot. Bonds3

About 9-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile

9-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile (PubChem CID 139339852) has the molecular formula C44H24N4O and a molecular weight of 624.70 g/mol. Its IUPAC name is 9-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile
PubChem CID139339852
Molecular FormulaC44H24N4O
Molecular Weight624.70 g/mol
Exact Mass624.20
IUPAC Name9-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4ccccc4c4cc(C#N)ccc43)cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)c1
InChIInChI=1S/C44H24N4O/c45-25-27-8-7-9-29(20-27)30-22-31(47-38-13-4-1-10-33(38)37-21-28(26-46)16-18-40(37)47)24-32(23-30)48-39-14-5-2-12-36(39)43-41(48)19-17-35-34-11-3-6-15-42(34)49-44(35)43/h1-24H
InChIKeyJGCDTUHPOQZMNY-UHFFFAOYSA-N
XLogP11.19
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.70
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-cyanophenyl]-[1]benzofuro[3,2-c]carbazole-9-carbonitrile
CID 129291257
3-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-phenylbenzonitrile
CID 139340065
9-[3-[3-(20-oxa-7,9-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 139574415
3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(4-phenylcarbazol-9-yl)benzonitrile
CID 129291106
3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzonitrile
CID 129291151
3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(2-fluoro-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile
CID 129291264
9-[3-[2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-5-isocyanophenyl]carbazole-3-carbonitrile
CID 140823056
3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-carbazol-9-ylphenyl]benzonitrile
CID 139340044
2-[2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-carbazol-9-ylphenyl]phenyl]benzonitrile;3-[2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-carbazol-9-ylphenyl]phenyl]benzonitrile;2-[3-carbazol-9-yl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;3-[3-carbazol-9-yl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile
CID 159371749
5-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
CID 146543091
9-[3-[[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenylsilyl]-5-cyanophenyl]carbazole-3-carbonitrile
CID 140842601
2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-carbazol-9-ylphenyl]benzonitrile
CID 139340059

Frequently Asked Questions

What is the IUPAC name of 9-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile (CID 139339852) is 9-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile is N#Cc1cccc(-c2cc(-n3c4ccccc4c4cc(C#N)ccc43)cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)c1.
What is the InChIKey of 9-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile?
The InChIKey is JGCDTUHPOQZMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24N4O/c45-25-27-8-7-9-29(20-27)30-22-31(47-38-13-4-1-10-33(38)37-21-28(26-46)16-18-40(37)47)24-32(23-30)48-39-14-5-2-12-36(39)43-41(48)19-17-35-34-11-3-6-15-42(34)49-44(35)43/h1-24H.
What are the key properties of 9-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile?
9-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile has a molecular weight of 624.70 g/mol, XLogP of 11.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 139339852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).