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

C30H17N3S — CID 146543016

IUPAC4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2cccc(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)c2)ccn1
InChIInChI=1S/C30H17N3S/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
InChIKeySEHNZTGVBGZVMM-UHFFFAOYSA-N
MW451.55 g/mol
LogP8.09
Rot. Bonds2

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

4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile (PubChem CID 146543016) has the molecular formula C30H17N3S and a molecular weight of 451.55 g/mol. Its IUPAC name is 4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile
PubChem CID146543016
Molecular FormulaC30H17N3S
Molecular Weight451.55 g/mol
Exact Mass451.11
IUPAC Name4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2cccc(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)c2)ccn1
InChIInChI=1S/C30H17N3S/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
InChIKeySEHNZTGVBGZVMM-UHFFFAOYSA-N
XLogP8.09
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.55
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 146543874
3-[3-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 146543871
5-[3-[6-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 118939041
4-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 146543071
9-[3-(3-carbazol-9-ylphenyl)phenyl]-20-thia-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-nonaene
CID 139575247
4-[4-(3-carbazol-9-ylphenyl)phenyl]pyridine-2-carbonitrile
CID 146543438
9-[3-[3-(20-thia-4,9-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 139575307
4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile
CID 146543546
5-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 139496961
3-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile
CID 140922299
5-[3-(4-dibenzothiophen-3-yl-6-phenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 118154538
5-[3-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 118154692

Frequently Asked Questions

What is the IUPAC name of 4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile (CID 146543016) is 4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile is N#Cc1cc(-c2cccc(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)c2)ccn1.
What is the InChIKey of 4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile?
The InChIKey is SEHNZTGVBGZVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17N3S/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]benzothiolo[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile?
4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile has a molecular weight of 451.55 g/mol, XLogP of 8.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile is sourced from PubChem (CID 146543016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).