11-phenyl-3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole

C38H23N5O — CID 163616329

IUPAC11-phenyl-3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3cc5c6ccccc6n(-c6ccccc6)c5cc34)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C38H23N5O/c1-3-11-24(12-4-1)36-40-37(42-38(41-36)31-16-9-10-20-39-31)25-18-19-28-30-22-33-29(23-35(30)44-34(28)21-25)27-15-7-8-17-32(27)43(33)26-13-5-2-6-14-26/h1-23H
InChIKeyOGKOEQMDTXWACW-UHFFFAOYSA-N
MW565.64 g/mol
LogP9.26
Rot. Bonds4

About 11-phenyl-3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole

11-phenyl-3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole (PubChem CID 163616329) has the molecular formula C38H23N5O and a molecular weight of 565.64 g/mol. Its IUPAC name is 11-phenyl-3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-phenyl-3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole
PubChem CID163616329
Molecular FormulaC38H23N5O
Molecular Weight565.64 g/mol
Exact Mass565.19
IUPAC Name11-phenyl-3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3cc5c6ccccc6n(-c6ccccc6)c5cc34)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C38H23N5O/c1-3-11-24(12-4-1)36-40-37(42-38(41-36)31-16-9-10-20-39-31)25-18-19-28-30-22-33-29(23-35(30)44-34(28)21-25)27-15-7-8-17-32(27)43(33)26-13-5-2-6-14-26/h1-23H
InChIKeyOGKOEQMDTXWACW-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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Related Compounds

11-phenyl-3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 163682982
3-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 153459949
11-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole
CID 163758695
3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163958673
11-phenyl-4-[4-(3-phenylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole;11-phenyl-4-[4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 163428681
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-25-phenyl-5-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene
CID 140957247
2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163842571
3-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole;3-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole;3-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)-[1]benzofuro[3,2-b]carbazole;3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole;3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3-phenylphenyl)-[1]benzofuro[3,2-b]carbazole
CID 163946850
2-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 166009472
2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342798
2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163556848
11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 146641949

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-phenyl-3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole (CID 163616329) is 11-phenyl-3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-phenyl-3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-phenyl-3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3cc5c6ccccc6n(-c6ccccc6)c5cc34)nc(-c3ccccn3)n2)cc1.
What is the InChIKey of 11-phenyl-3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole?
The InChIKey is OGKOEQMDTXWACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N5O/c1-3-11-24(12-4-1)36-40-37(42-38(41-36)31-16-9-10-20-39-31)25-18-19-28-30-22-33-29(23-35(30)44-34(28)21-25)27-15-7-8-17-32(27)43(33)26-13-5-2-6-14-26/h1-23H.
What are the key properties of 11-phenyl-3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole?
11-phenyl-3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]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 11-phenyl-3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 163616329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).