dibenzofuran;3-dibenzofuran-4-yl-6-(1,2-dihydrodibenzofuran-4-yl)-9-methylcarbazole

C49H33NO3 — CID 145339989

IUPACdibenzofuran;3-dibenzofuran-4-yl-6-(1,2-dihydrodibenzofuran-4-yl)-9-methylcarbazole
SMILESCn1c2ccc(C3=CCCc4c3oc3ccccc43)cc2c2cc(-c3cccc4c3oc3ccccc34)ccc21.c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C37H25NO2.C12H8O/c1-38-32-18-16-22(24-10-6-12-28-26-8-2-4-14-34(26)39-36(24)28)20-30(32)31-21-23(17-19-33(31)38)25-11-7-13-29-27-9-3-5-15-35(27)40-37(25)29;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h2-6,8-12,14-21H,7,13H2,1H3;1-8H
InChIKeyWGCZPDPEOIOTJE-UHFFFAOYSA-N
MW683.81 g/mol
LogP13.61
Rot. Bonds2

About dibenzofuran;3-dibenzofuran-4-yl-6-(1,2-dihydrodibenzofuran-4-yl)-9-methylcarbazole

dibenzofuran;3-dibenzofuran-4-yl-6-(1,2-dihydrodibenzofuran-4-yl)-9-methylcarbazole (PubChem CID 145339989) has the molecular formula C49H33NO3 and a molecular weight of 683.81 g/mol. Its IUPAC name is dibenzofuran;3-dibenzofuran-4-yl-6-(1,2-dihydrodibenzofuran-4-yl)-9-methylcarbazole.

Molecular Properties

Compound Namedibenzofuran;3-dibenzofuran-4-yl-6-(1,2-dihydrodibenzofuran-4-yl)-9-methylcarbazole
PubChem CID145339989
Molecular FormulaC49H33NO3
Molecular Weight683.81 g/mol
Exact Mass683.25
IUPAC Namedibenzofuran;3-dibenzofuran-4-yl-6-(1,2-dihydrodibenzofuran-4-yl)-9-methylcarbazole
SMILESCn1c2ccc(C3=CCCc4c3oc3ccccc43)cc2c2cc(-c3cccc4c3oc3ccccc34)ccc21.c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C37H25NO2.C12H8O/c1-38-32-18-16-22(24-10-6-12-28-26-8-2-4-14-34(26)39-36(24)28)20-30(32)31-21-23(17-19-33(31)38)25-11-7-13-29-27-9-3-5-15-35(27)40-37(25)29;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h2-6,8-12,14-21H,7,13H2,1H3;1-8H
InChIKeyWGCZPDPEOIOTJE-UHFFFAOYSA-N
XLogP13.61
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.81
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-dibenzofuran-4-yl-6-(1-methyl-1,2-dihydrodibenzofuran-4-yl)-9-phenylcarbazole
CID 163549026
4-[3-dibenzofuran-4-yl-5-(1,2-dihydrodibenzofuran-4-yl)phenyl]-6-(3-dibenzofuran-4-ylphenyl)-2-phenyl-1,4-dihydropyrimidine
CID 130374561
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
9-dibenzofuran-1-yl-3-dibenzofuran-4-ylcarbazole
CID 118504742
3,6-di(dibenzofuran-4-yl)-9-(10-phenylanthracen-9-yl)carbazole
CID 87156847
9-[4-(4-bromophenyl)phenyl]-3,6-di(dibenzofuran-4-yl)carbazole
CID 58536218
3-dibenzofuran-2-yl-9-methylcarbazole
CID 121307339
4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran
CID 144568493
3-bromo-6-dibenzofuran-4-yl-9-phenylcarbazole
CID 90089515
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 121449395
3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 121449462

Frequently Asked Questions

What is the IUPAC name of dibenzofuran;3-dibenzofuran-4-yl-6-(1,2-dihydrodibenzofuran-4-yl)-9-methylcarbazole?
The IUPAC name of dibenzofuran;3-dibenzofuran-4-yl-6-(1,2-dihydrodibenzofuran-4-yl)-9-methylcarbazole (CID 145339989) is dibenzofuran;3-dibenzofuran-4-yl-6-(1,2-dihydrodibenzofuran-4-yl)-9-methylcarbazole.
What is the SMILES notation for dibenzofuran;3-dibenzofuran-4-yl-6-(1,2-dihydrodibenzofuran-4-yl)-9-methylcarbazole?
The canonical SMILES for dibenzofuran;3-dibenzofuran-4-yl-6-(1,2-dihydrodibenzofuran-4-yl)-9-methylcarbazole is Cn1c2ccc(C3=CCCc4c3oc3ccccc43)cc2c2cc(-c3cccc4c3oc3ccccc34)ccc21.c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of dibenzofuran;3-dibenzofuran-4-yl-6-(1,2-dihydrodibenzofuran-4-yl)-9-methylcarbazole?
The InChIKey is WGCZPDPEOIOTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25NO2.C12H8O/c1-38-32-18-16-22(24-10-6-12-28-26-8-2-4-14-34(26)39-36(24)28)20-30(32)31-21-23(17-19-33(31)38)25-11-7-13-29-27-9-3-5-15-35(27)40-37(25)29;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h2-6,8-12,14-21H,7,13H2,1H3;1-8H.
What are the key properties of dibenzofuran;3-dibenzofuran-4-yl-6-(1,2-dihydrodibenzofuran-4-yl)-9-methylcarbazole?
dibenzofuran;3-dibenzofuran-4-yl-6-(1,2-dihydrodibenzofuran-4-yl)-9-methylcarbazole has a molecular weight of 683.81 g/mol, XLogP of 13.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran;3-dibenzofuran-4-yl-6-(1,2-dihydrodibenzofuran-4-yl)-9-methylcarbazole is sourced from PubChem (CID 145339989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).