12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-a]carbazole

C38H23N5O — CID 118502629

IUPAC12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)nc3)n2)cc1
InChIInChI=1S/C38H23N5O/c1-3-11-24(12-4-1)36-40-37(25-13-5-2-6-14-25)42-38(41-36)26-19-22-33(39-23-26)43-31-17-9-7-15-27(31)29-20-21-30-28-16-8-10-18-32(28)44-35(30)34(29)43/h1-23H
InChIKeyNWZSNGISYKSHLZ-UHFFFAOYSA-N
MW565.64 g/mol
LogP9.26
Rot. Bonds4

About 12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-a]carbazole

12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 118502629) has the molecular formula C38H23N5O and a molecular weight of 565.64 g/mol. Its IUPAC name is 12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-a]carbazole
PubChem CID118502629
Molecular FormulaC38H23N5O
Molecular Weight565.64 g/mol
Exact Mass565.19
IUPAC Name12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)nc3)n2)cc1
InChIInChI=1S/C38H23N5O/c1-3-11-24(12-4-1)36-40-37(25-13-5-2-6-14-25)42-38(41-36)26-19-22-33(39-23-26)43-31-17-9-7-15-27(31)29-20-21-30-28-16-8-10-18-32(28)44-35(30)34(29)43/h1-23H
InChIKeyNWZSNGISYKSHLZ-UHFFFAOYSA-N
XLogP9.26
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.64
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-a]carbazole (CID 118502629) is 12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)nc3)n2)cc1.
What is the InChIKey of 12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is NWZSNGISYKSHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N5O/c1-3-11-24(12-4-1)36-40-37(25-13-5-2-6-14-25)42-38(41-36)26-19-22-33(39-23-26)43-31-17-9-7-15-27(31)29-20-21-30-28-16-8-10-18-32(28)44-35(30)34(29)43/h1-23H.
What are the key properties of 12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-a]carbazole?
12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 565.64 g/mol, XLogP of 9.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 118502629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).