3-dibenzofuran-4-yl-9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)cyclohexa-1,3-dien-1-yl]carbazole

C45H32N4O — CID 129238529

IUPAC3-dibenzofuran-4-yl-9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)cyclohexa-1,3-dien-1-yl]carbazole
SMILESC1=C(C2N=C(c3ccccc3)NC(c3ccccc3)=N2)CCC(n2c3ccccc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)=C1
InChIInChI=1S/C45H32N4O/c1-3-12-29(13-4-1)43-46-44(30-14-5-2-6-15-30)48-45(47-43)31-22-25-33(26-23-31)49-39-20-9-7-16-35(39)38-28-32(24-27-40(38)49)34-18-11-19-37-36-17-8-10-21-41(36)50-42(34)37/h1-22,24-25,27-28,45H,23,26H2,(H,46,47,48)
InChIKeyNHLMCKNAWDFPCV-UHFFFAOYSA-N
MW644.78 g/mol
LogP10.74
Rot. Bonds5

About 3-dibenzofuran-4-yl-9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)cyclohexa-1,3-dien-1-yl]carbazole

3-dibenzofuran-4-yl-9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)cyclohexa-1,3-dien-1-yl]carbazole (PubChem CID 129238529) has the molecular formula C45H32N4O and a molecular weight of 644.78 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)cyclohexa-1,3-dien-1-yl]carbazole.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)cyclohexa-1,3-dien-1-yl]carbazole
PubChem CID129238529
Molecular FormulaC45H32N4O
Molecular Weight644.78 g/mol
Exact Mass644.26
IUPAC Name3-dibenzofuran-4-yl-9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)cyclohexa-1,3-dien-1-yl]carbazole
SMILESC1=C(C2N=C(c3ccccc3)NC(c3ccccc3)=N2)CCC(n2c3ccccc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)=C1
InChIInChI=1S/C45H32N4O/c1-3-12-29(13-4-1)43-46-44(30-14-5-2-6-15-30)48-45(47-43)31-22-25-33(26-23-31)49-39-20-9-7-16-35(39)38-28-32(24-27-40(38)49)34-18-11-19-37-36-17-8-10-21-41(36)50-42(34)37/h1-22,24-25,27-28,45H,23,26H2,(H,46,47,48)
InChIKeyNHLMCKNAWDFPCV-UHFFFAOYSA-N
XLogP10.74
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.78
LogP ≤ 510.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-di(dibenzofuran-4-yl)-9-(10-phenylanthracen-9-yl)carbazole
CID 87156847
5-[2-dibenzofuran-4-yl-4-[2-(3-phenylphenyl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
CID 155475017
3-[6-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 166961453
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
9-[4-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]dibenzofuran-3-yl]carbazole
CID 167032747
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
(4R)-2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 146489534
3-dibenzofuran-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole
CID 87153723
3-dibenzofuran-4-yl-9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 145077505
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
3-dibenzofuran-4-yl-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 122451711

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)cyclohexa-1,3-dien-1-yl]carbazole?
The IUPAC name of 3-dibenzofuran-4-yl-9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)cyclohexa-1,3-dien-1-yl]carbazole (CID 129238529) is 3-dibenzofuran-4-yl-9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)cyclohexa-1,3-dien-1-yl]carbazole.
What is the SMILES notation for 3-dibenzofuran-4-yl-9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)cyclohexa-1,3-dien-1-yl]carbazole?
The canonical SMILES for 3-dibenzofuran-4-yl-9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)cyclohexa-1,3-dien-1-yl]carbazole is C1=C(C2N=C(c3ccccc3)NC(c3ccccc3)=N2)CCC(n2c3ccccc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)=C1.
What is the InChIKey of 3-dibenzofuran-4-yl-9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)cyclohexa-1,3-dien-1-yl]carbazole?
The InChIKey is NHLMCKNAWDFPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N4O/c1-3-12-29(13-4-1)43-46-44(30-14-5-2-6-15-30)48-45(47-43)31-22-25-33(26-23-31)49-39-20-9-7-16-35(39)38-28-32(24-27-40(38)49)34-18-11-19-37-36-17-8-10-21-41(36)50-42(34)37/h1-22,24-25,27-28,45H,23,26H2,(H,46,47,48).
What are the key properties of 3-dibenzofuran-4-yl-9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)cyclohexa-1,3-dien-1-yl]carbazole?
3-dibenzofuran-4-yl-9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)cyclohexa-1,3-dien-1-yl]carbazole has a molecular weight of 644.78 g/mol, XLogP of 10.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)cyclohexa-1,3-dien-1-yl]carbazole is sourced from PubChem (CID 129238529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).