4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile

C30H17N3O — CID 146543546

IUPAC4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2cccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)ccn1
InChIInChI=1S/C30H17N3O/c31-18-21-16-20(14-15-32-21)19-6-5-7-22(17-19)33-26-10-3-1-9-25(26)29-27(33)13-12-24-23-8-2-4-11-28(23)34-30(24)29/h1-17H
InChIKeyQJLXCTBXKBCWNZ-UHFFFAOYSA-N
MW435.49 g/mol
LogP7.62
Rot. Bonds2

About 4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile

4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile (PubChem CID 146543546) has the molecular formula C30H17N3O and a molecular weight of 435.49 g/mol. Its IUPAC name is 4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile
PubChem CID146543546
Molecular FormulaC30H17N3O
Molecular Weight435.49 g/mol
Exact Mass435.14
IUPAC Name4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2cccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)ccn1
InChIInChI=1S/C30H17N3O/c31-18-21-16-20(14-15-32-21)19-6-5-7-22(17-19)33-26-10-3-1-9-25(26)29-27(33)13-12-24-23-8-2-4-11-28(23)34-30(24)29/h1-17H
InChIKeyQJLXCTBXKBCWNZ-UHFFFAOYSA-N
XLogP7.62
TPSA54.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.49
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 146543049
6-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
CID 146543561
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
4-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 146543071
5-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
CID 146543091
4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]pyridine-3-carbonitrile
CID 146543545
5-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-cyanophenyl]-[1]benzofuro[3,2-c]carbazole-9-carbonitrile
CID 129291257
4-[4-(3-carbazol-9-ylphenyl)phenyl]pyridine-2-carbonitrile
CID 146543438
3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(4-phenylcarbazol-9-yl)benzonitrile
CID 129291106
4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile
CID 146543016
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-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 139339852

Frequently Asked Questions

What is the IUPAC name of 4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile (CID 146543546) is 4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile is N#Cc1cc(-c2cccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)ccn1.
What is the InChIKey of 4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile?
The InChIKey is QJLXCTBXKBCWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17N3O/c31-18-21-16-20(14-15-32-21)19-6-5-7-22(17-19)33-26-10-3-1-9-25(26)29-27(33)13-12-24-23-8-2-4-11-28(23)34-30(24)29/h1-17H.
What are the key properties of 4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile?
4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile has a molecular weight of 435.49 g/mol, XLogP of 7.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile is sourced from PubChem (CID 146543546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).