10-isoquinolin-3-yl-7-pyridin-3-ylbenzo[c]carbazole

C30H19N3 — CID 90250026

IUPAC10-isoquinolin-3-yl-7-pyridin-3-ylbenzo[c]carbazole
SMILESc1cncc(-n2c3ccc(-c4cc5ccccc5cn4)cc3c3c4ccccc4ccc32)c1
InChIInChI=1S/C30H19N3/c1-2-8-23-18-32-27(17-21(23)7-1)22-12-13-28-26(16-22)30-25-10-4-3-6-20(25)11-14-29(30)33(28)24-9-5-15-31-19-24/h1-19H
InChIKeyVEJZHNPVPLJDGU-UHFFFAOYSA-N
MW421.50 g/mol
LogP7.55
Rot. Bonds2

About 10-isoquinolin-3-yl-7-pyridin-3-ylbenzo[c]carbazole

10-isoquinolin-3-yl-7-pyridin-3-ylbenzo[c]carbazole (PubChem CID 90250026) has the molecular formula C30H19N3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 10-isoquinolin-3-yl-7-pyridin-3-ylbenzo[c]carbazole.

Molecular Properties

Compound Name10-isoquinolin-3-yl-7-pyridin-3-ylbenzo[c]carbazole
PubChem CID90250026
Molecular FormulaC30H19N3
Molecular Weight421.50 g/mol
Exact Mass421.16
IUPAC Name10-isoquinolin-3-yl-7-pyridin-3-ylbenzo[c]carbazole
SMILESc1cncc(-n2c3ccc(-c4cc5ccccc5cn4)cc3c3c4ccccc4ccc32)c1
InChIInChI=1S/C30H19N3/c1-2-8-23-18-32-27(17-21(23)7-1)22-12-13-28-26(16-22)30-25-10-4-3-6-20(25)11-14-29(30)33(28)24-9-5-15-31-19-24/h1-19H
InChIKeyVEJZHNPVPLJDGU-UHFFFAOYSA-N
XLogP7.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-isoquinolin-3-yl-7-pyridin-3-ylbenzo[c]carbazole?
The IUPAC name of 10-isoquinolin-3-yl-7-pyridin-3-ylbenzo[c]carbazole (CID 90250026) is 10-isoquinolin-3-yl-7-pyridin-3-ylbenzo[c]carbazole.
What is the SMILES notation for 10-isoquinolin-3-yl-7-pyridin-3-ylbenzo[c]carbazole?
The canonical SMILES for 10-isoquinolin-3-yl-7-pyridin-3-ylbenzo[c]carbazole is c1cncc(-n2c3ccc(-c4cc5ccccc5cn4)cc3c3c4ccccc4ccc32)c1.
What is the InChIKey of 10-isoquinolin-3-yl-7-pyridin-3-ylbenzo[c]carbazole?
The InChIKey is VEJZHNPVPLJDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N3/c1-2-8-23-18-32-27(17-21(23)7-1)22-12-13-28-26(16-22)30-25-10-4-3-6-20(25)11-14-29(30)33(28)24-9-5-15-31-19-24/h1-19H.
What are the key properties of 10-isoquinolin-3-yl-7-pyridin-3-ylbenzo[c]carbazole?
10-isoquinolin-3-yl-7-pyridin-3-ylbenzo[c]carbazole has a molecular weight of 421.50 g/mol, XLogP of 7.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-isoquinolin-3-yl-7-pyridin-3-ylbenzo[c]carbazole is sourced from PubChem (CID 90250026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).