1-cinnolin-3-yl-2-phenylindolo[3,2-c]carbazole

C32H18N4 — CID 166134412

IUPAC1-cinnolin-3-yl-2-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc3c(c2-c2cc4ccccc4nn2)-c2c4c(ccc2=N3)=c2ccccc2=N4)cc1
InChIInChI=1S/C32H18N4/c1-2-8-19(9-3-1)21-14-16-26-30(29(21)28-18-20-10-4-6-12-24(20)35-36-28)31-27(33-26)17-15-23-22-11-5-7-13-25(22)34-32(23)31/h1-18H
InChIKeyVHLMLGGJANTFGI-UHFFFAOYSA-N
MW458.52 g/mol
LogP6.45
Rot. Bonds2

About 1-cinnolin-3-yl-2-phenylindolo[3,2-c]carbazole

1-cinnolin-3-yl-2-phenylindolo[3,2-c]carbazole (PubChem CID 166134412) has the molecular formula C32H18N4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 1-cinnolin-3-yl-2-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name1-cinnolin-3-yl-2-phenylindolo[3,2-c]carbazole
PubChem CID166134412
Molecular FormulaC32H18N4
Molecular Weight458.52 g/mol
Exact Mass458.15
IUPAC Name1-cinnolin-3-yl-2-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc3c(c2-c2cc4ccccc4nn2)-c2c4c(ccc2=N3)=c2ccccc2=N4)cc1
InChIInChI=1S/C32H18N4/c1-2-8-19(9-3-1)21-14-16-26-30(29(21)28-18-20-10-4-6-12-24(20)35-36-28)31-27(33-26)17-15-23-22-11-5-7-13-25(22)34-32(23)31/h1-18H
InChIKeyVHLMLGGJANTFGI-UHFFFAOYSA-N
XLogP6.45
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cinnolin-3-yl-2-phenylindolo[3,2-c]carbazole?
The IUPAC name of 1-cinnolin-3-yl-2-phenylindolo[3,2-c]carbazole (CID 166134412) is 1-cinnolin-3-yl-2-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 1-cinnolin-3-yl-2-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 1-cinnolin-3-yl-2-phenylindolo[3,2-c]carbazole is c1ccc(-c2ccc3c(c2-c2cc4ccccc4nn2)-c2c4c(ccc2=N3)=c2ccccc2=N4)cc1.
What is the InChIKey of 1-cinnolin-3-yl-2-phenylindolo[3,2-c]carbazole?
The InChIKey is VHLMLGGJANTFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N4/c1-2-8-19(9-3-1)21-14-16-26-30(29(21)28-18-20-10-4-6-12-24(20)35-36-28)31-27(33-26)17-15-23-22-11-5-7-13-25(22)34-32(23)31/h1-18H.
What are the key properties of 1-cinnolin-3-yl-2-phenylindolo[3,2-c]carbazole?
1-cinnolin-3-yl-2-phenylindolo[3,2-c]carbazole has a molecular weight of 458.52 g/mol, XLogP of 6.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cinnolin-3-yl-2-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 166134412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).