5-pyridin-3-ylbenzo[b]carbazole

C21H14N2 — CID 122464099

IUPAC5-pyridin-3-ylbenzo[b]carbazole
SMILESc1cncc(-n2c3ccccc3c3cc4ccccc4cc32)c1
InChIInChI=1S/C21H14N2/c1-2-7-16-13-21-19(12-15(16)6-1)18-9-3-4-10-20(18)23(21)17-8-5-11-22-14-17/h1-14H
InChIKeyIDXOAISCDITADF-UHFFFAOYSA-N
MW294.36 g/mol
LogP5.33
Rot. Bonds1

About 5-pyridin-3-ylbenzo[b]carbazole

5-pyridin-3-ylbenzo[b]carbazole (PubChem CID 122464099) has the molecular formula C21H14N2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-pyridin-3-ylbenzo[b]carbazole.

Molecular Properties

Compound Name5-pyridin-3-ylbenzo[b]carbazole
PubChem CID122464099
Molecular FormulaC21H14N2
Molecular Weight294.36 g/mol
Exact Mass294.12
IUPAC Name5-pyridin-3-ylbenzo[b]carbazole
SMILESc1cncc(-n2c3ccccc3c3cc4ccccc4cc32)c1
InChIInChI=1S/C21H14N2/c1-2-7-16-13-21-19(12-15(16)6-1)18-9-3-4-10-20(18)23(21)17-8-5-11-22-14-17/h1-14H
InChIKeyIDXOAISCDITADF-UHFFFAOYSA-N
XLogP5.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.36
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

14-phenyl-3-pyridin-3-yl-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene
CID 122465006
3-iodo-9-pyridin-3-ylcarbazole
CID 156633056
2-phenyl-9-pyridin-3-ylpyrazolo[3,4-b]carbazole
CID 118145454
22-pyridin-3-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 146555319
5-[3-(4-phenylphenyl)phenyl]-11-pyridin-3-ylindolo[3,2-b]carbazole
CID 140944253
3,6-bis(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazole
CID 177074748
7-phenyl-9-(9-pyridin-3-ylcarbazol-3-yl)benzo[c]carbazole
CID 129294310
20-(3-pyridin-3-ylphenyl)-2,20-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.021,26]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),21,23,25-tridecaene
CID 90432112
26-(3-pyridin-3-ylphenyl)-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene
CID 90432851
16-(3-carbazol-9-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 155465799
5-pyridin-3-ylpyrido[3,2-b]indole
CID 59459758
12-phenyl-22-pyridin-2-yl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 122464990

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-ylbenzo[b]carbazole?
The IUPAC name of 5-pyridin-3-ylbenzo[b]carbazole (CID 122464099) is 5-pyridin-3-ylbenzo[b]carbazole.
What is the SMILES notation for 5-pyridin-3-ylbenzo[b]carbazole?
The canonical SMILES for 5-pyridin-3-ylbenzo[b]carbazole is c1cncc(-n2c3ccccc3c3cc4ccccc4cc32)c1.
What is the InChIKey of 5-pyridin-3-ylbenzo[b]carbazole?
The InChIKey is IDXOAISCDITADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2/c1-2-7-16-13-21-19(12-15(16)6-1)18-9-3-4-10-20(18)23(21)17-8-5-11-22-14-17/h1-14H.
What are the key properties of 5-pyridin-3-ylbenzo[b]carbazole?
5-pyridin-3-ylbenzo[b]carbazole has a molecular weight of 294.36 g/mol, XLogP of 5.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-ylbenzo[b]carbazole is sourced from PubChem (CID 122464099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).