6-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-5-phenylbenzo[c][2,1]benzazaphosphinine 6-oxide

C45H27N4O3P — CID 162699048

IUPAC6-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-5-phenylbenzo[c][2,1]benzazaphosphinine 6-oxide
SMILESO=P1(c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c(c3)oc3ccccc34)n2)c2ccccc2-c2ccccc2N1c1ccccc1
InChIInChI=1S/C45H27N4O3P/c50-53(42-21-11-7-17-36(42)31-14-4-8-18-37(31)49(53)30-12-2-1-3-13-30)45-47-43(28-22-24-34-32-15-5-9-19-38(32)51-40(34)26-28)46-44(48-45)29-23-25-35-33-16-6-10-20-39(33)52-41(35)27-29/h1-27H
InChIKeyIHRSUKSGTRJHAI-UHFFFAOYSA-N
MW702.71 g/mol
LogP11.05
Rot. Bonds4

About 6-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-5-phenylbenzo[c][2,1]benzazaphosphinine 6-oxide

6-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-5-phenylbenzo[c][2,1]benzazaphosphinine 6-oxide (PubChem CID 162699048) has the molecular formula C45H27N4O3P and a molecular weight of 702.71 g/mol. Its IUPAC name is 6-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-5-phenylbenzo[c][2,1]benzazaphosphinine 6-oxide.

Molecular Properties

Compound Name6-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-5-phenylbenzo[c][2,1]benzazaphosphinine 6-oxide
PubChem CID162699048
Molecular FormulaC45H27N4O3P
Molecular Weight702.71 g/mol
Exact Mass702.18
IUPAC Name6-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-5-phenylbenzo[c][2,1]benzazaphosphinine 6-oxide
SMILESO=P1(c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c(c3)oc3ccccc34)n2)c2ccccc2-c2ccccc2N1c1ccccc1
InChIInChI=1S/C45H27N4O3P/c50-53(42-21-11-7-17-36(42)31-14-4-8-18-37(31)49(53)30-12-2-1-3-13-30)45-47-43(28-22-24-34-32-15-5-9-19-38(32)51-40(34)26-28)46-44(48-45)29-23-25-35-33-16-6-10-20-39(33)52-41(35)27-29/h1-27H
InChIKeyIHRSUKSGTRJHAI-UHFFFAOYSA-N
XLogP11.05
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.71
LogP ≤ 511.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138729899
2-dibenzofuran-3-yl-4-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 138729900
2-(7-dibenzofuran-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147277372
9-[2-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]carbazole
CID 176607555
2-(4-dibenzofuran-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146251319
2-(10-dibenzofuran-3-yltriphenylen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166925810
12-[2-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 169014581
2-[9-(2-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 176773441
3-dibenzofuran-3-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 165007385
3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]xanthen-9-one
CID 155281538
2,4-diphenyl-6-[7-(2-triphenylen-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 154624594
2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 138625830

Frequently Asked Questions

What is the IUPAC name of 6-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-5-phenylbenzo[c][2,1]benzazaphosphinine 6-oxide?
The IUPAC name of 6-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-5-phenylbenzo[c][2,1]benzazaphosphinine 6-oxide (CID 162699048) is 6-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-5-phenylbenzo[c][2,1]benzazaphosphinine 6-oxide.
What is the SMILES notation for 6-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-5-phenylbenzo[c][2,1]benzazaphosphinine 6-oxide?
The canonical SMILES for 6-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-5-phenylbenzo[c][2,1]benzazaphosphinine 6-oxide is O=P1(c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c(c3)oc3ccccc34)n2)c2ccccc2-c2ccccc2N1c1ccccc1.
What is the InChIKey of 6-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-5-phenylbenzo[c][2,1]benzazaphosphinine 6-oxide?
The InChIKey is IHRSUKSGTRJHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N4O3P/c50-53(42-21-11-7-17-36(42)31-14-4-8-18-37(31)49(53)30-12-2-1-3-13-30)45-47-43(28-22-24-34-32-15-5-9-19-38(32)51-40(34)26-28)46-44(48-45)29-23-25-35-33-16-6-10-20-39(33)52-41(35)27-29/h1-27H.
What are the key properties of 6-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-5-phenylbenzo[c][2,1]benzazaphosphinine 6-oxide?
6-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-5-phenylbenzo[c][2,1]benzazaphosphinine 6-oxide has a molecular weight of 702.71 g/mol, XLogP of 11.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-5-phenylbenzo[c][2,1]benzazaphosphinine 6-oxide is sourced from PubChem (CID 162699048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).