5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4a,11b-dihydrobenzo[b]carbazole

C43H28N4O — CID 166918804

IUPAC5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4a,11b-dihydrobenzo[b]carbazole
SMILESC1=CC2c3cc4ccccc4cc3N(c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)c3)C2C=C1
InChIInChI=1S/C43H28N4O/c1-2-12-27(13-3-1)41-44-42(46-43(45-41)34-20-11-23-39-40(34)33-19-7-9-22-38(33)48-39)30-16-10-17-31(24-30)47-36-21-8-6-18-32(36)35-25-28-14-4-5-15-29(28)26-37(35)47/h1-26,32,36H
InChIKeyFHPFNRVBOVYSQV-UHFFFAOYSA-N
MW616.72 g/mol
LogP10.66
Rot. Bonds4

About 5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4a,11b-dihydrobenzo[b]carbazole

5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4a,11b-dihydrobenzo[b]carbazole (PubChem CID 166918804) has the molecular formula C43H28N4O and a molecular weight of 616.72 g/mol. Its IUPAC name is 5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4a,11b-dihydrobenzo[b]carbazole.

Molecular Properties

Compound Name5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4a,11b-dihydrobenzo[b]carbazole
PubChem CID166918804
Molecular FormulaC43H28N4O
Molecular Weight616.72 g/mol
Exact Mass616.23
IUPAC Name5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4a,11b-dihydrobenzo[b]carbazole
SMILESC1=CC2c3cc4ccccc4cc3N(c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)c3)C2C=C1
InChIInChI=1S/C43H28N4O/c1-2-12-27(13-3-1)41-44-42(46-43(45-41)34-20-11-23-39-40(34)33-19-7-9-22-38(33)48-39)30-16-10-17-31(24-30)47-36-21-8-6-18-32(36)35-25-28-14-4-5-15-29(28)26-37(35)47/h1-26,32,36H
InChIKeyFHPFNRVBOVYSQV-UHFFFAOYSA-N
XLogP10.66
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.72
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[4-dibenzofuran-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenyl-4a,9a-dihydrocarbazole
CID 170153049
9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 146530782
5-[8-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenyl-4a,9a-dihydrocarbazole
CID 139342404
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164972990
9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166592032
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-dibenzofuran-1-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164747858
2,4-di(dibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163874534
2-dibenzofuran-1-yl-4-phenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171607713
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene
CID 164845453
2-dibenzofuran-1-yl-4-[3-(5-naphthalen-2-ylnaphthalen-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 176766280

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4a,11b-dihydrobenzo[b]carbazole?
The IUPAC name of 5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4a,11b-dihydrobenzo[b]carbazole (CID 166918804) is 5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4a,11b-dihydrobenzo[b]carbazole.
What is the SMILES notation for 5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4a,11b-dihydrobenzo[b]carbazole?
The canonical SMILES for 5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4a,11b-dihydrobenzo[b]carbazole is C1=CC2c3cc4ccccc4cc3N(c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)c3)C2C=C1.
What is the InChIKey of 5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4a,11b-dihydrobenzo[b]carbazole?
The InChIKey is FHPFNRVBOVYSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N4O/c1-2-12-27(13-3-1)41-44-42(46-43(45-41)34-20-11-23-39-40(34)33-19-7-9-22-38(33)48-39)30-16-10-17-31(24-30)47-36-21-8-6-18-32(36)35-25-28-14-4-5-15-29(28)26-37(35)47/h1-26,32,36H.
What are the key properties of 5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4a,11b-dihydrobenzo[b]carbazole?
5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4a,11b-dihydrobenzo[b]carbazole has a molecular weight of 616.72 g/mol, XLogP of 10.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4a,11b-dihydrobenzo[b]carbazole is sourced from PubChem (CID 166918804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).