3-(4a,9b-dihydrodibenzofuran-4-yl)-9-[6-(3-dibenzofuran-4-ylcarbazol-9-yl)-8,9-dihydrodibenzofuran-2-yl]carbazole

C60H38N2O3 — CID 163935646

IUPAC3-(4a,9b-dihydrodibenzofuran-4-yl)-9-[6-(3-dibenzofuran-4-ylcarbazol-9-yl)-8,9-dihydrodibenzofuran-2-yl]carbazole
SMILESC1=CC2c3ccccc3OC2C(c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4c(c3c2)CCC=C4n2c3ccccc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)=C1
InChIInChI=1S/C60H38N2O3/c1-5-21-50-40(12-1)47-32-35(38-16-9-18-44-42-14-3-7-24-55(42)63-58(38)44)26-29-52(47)61(50)37-28-31-57-49(34-37)46-20-11-23-54(60(46)65-57)62-51-22-6-2-13-41(51)48-33-36(27-30-53(48)62)39-17-10-19-45-43-15-4-8-25-56(43)64-59(39)45/h1-10,12-19,21-34,44,58H,11,20H2
InChIKeyRMOMFNBNPAYBOL-UHFFFAOYSA-N
MW834.98 g/mol
LogP15.54
Rot. Bonds4

About 3-(4a,9b-dihydrodibenzofuran-4-yl)-9-[6-(3-dibenzofuran-4-ylcarbazol-9-yl)-8,9-dihydrodibenzofuran-2-yl]carbazole

3-(4a,9b-dihydrodibenzofuran-4-yl)-9-[6-(3-dibenzofuran-4-ylcarbazol-9-yl)-8,9-dihydrodibenzofuran-2-yl]carbazole (PubChem CID 163935646) has the molecular formula C60H38N2O3 and a molecular weight of 834.98 g/mol. Its IUPAC name is 3-(4a,9b-dihydrodibenzofuran-4-yl)-9-[6-(3-dibenzofuran-4-ylcarbazol-9-yl)-8,9-dihydrodibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name3-(4a,9b-dihydrodibenzofuran-4-yl)-9-[6-(3-dibenzofuran-4-ylcarbazol-9-yl)-8,9-dihydrodibenzofuran-2-yl]carbazole
PubChem CID163935646
Molecular FormulaC60H38N2O3
Molecular Weight834.98 g/mol
Exact Mass834.29
IUPAC Name3-(4a,9b-dihydrodibenzofuran-4-yl)-9-[6-(3-dibenzofuran-4-ylcarbazol-9-yl)-8,9-dihydrodibenzofuran-2-yl]carbazole
SMILESC1=CC2c3ccccc3OC2C(c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4c(c3c2)CCC=C4n2c3ccccc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)=C1
InChIInChI=1S/C60H38N2O3/c1-5-21-50-40(12-1)47-32-35(38-16-9-18-44-42-14-3-7-24-55(42)63-58(38)44)26-29-52(47)61(50)37-28-31-57-49(34-37)46-20-11-23-54(60(46)65-57)62-51-22-6-2-13-41(51)48-33-36(27-30-53(48)62)39-17-10-19-45-43-15-4-8-25-56(43)64-59(39)45/h1-10,12-19,21-34,44,58H,11,20H2
InChIKeyRMOMFNBNPAYBOL-UHFFFAOYSA-N
XLogP15.54
TPSA45.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.98
LogP ≤ 515.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
CID 58099745
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 121449462
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
8,16-di(triphenylen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,16,18-octaene
CID 88882610
3-[9-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]carbazol-3-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 142296865
9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole;5-(4-carbazol-9-ylphenyl)-12-phenylindolo[3,2-c]carbazole;9-dibenzofuran-4-yl-5,12-diphenylindolo[3,2-c]carbazole;5,12-diphenyl-9-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
CID 162123659
9-[3-[18-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaen-5-yl]phenyl]carbazole
CID 67953594
9-(6-dibenzofuran-4-yldibenzofuran-2-yl)-3-phenylcarbazole
CID 146532981
9-(6-dibenzofuran-3-yldibenzofuran-2-yl)carbazole
CID 146558798
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 121449395
3-dibenzofuran-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole
CID 87153723

Frequently Asked Questions

What is the IUPAC name of 3-(4a,9b-dihydrodibenzofuran-4-yl)-9-[6-(3-dibenzofuran-4-ylcarbazol-9-yl)-8,9-dihydrodibenzofuran-2-yl]carbazole?
The IUPAC name of 3-(4a,9b-dihydrodibenzofuran-4-yl)-9-[6-(3-dibenzofuran-4-ylcarbazol-9-yl)-8,9-dihydrodibenzofuran-2-yl]carbazole (CID 163935646) is 3-(4a,9b-dihydrodibenzofuran-4-yl)-9-[6-(3-dibenzofuran-4-ylcarbazol-9-yl)-8,9-dihydrodibenzofuran-2-yl]carbazole.
What is the SMILES notation for 3-(4a,9b-dihydrodibenzofuran-4-yl)-9-[6-(3-dibenzofuran-4-ylcarbazol-9-yl)-8,9-dihydrodibenzofuran-2-yl]carbazole?
The canonical SMILES for 3-(4a,9b-dihydrodibenzofuran-4-yl)-9-[6-(3-dibenzofuran-4-ylcarbazol-9-yl)-8,9-dihydrodibenzofuran-2-yl]carbazole is C1=CC2c3ccccc3OC2C(c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4c(c3c2)CCC=C4n2c3ccccc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)=C1.
What is the InChIKey of 3-(4a,9b-dihydrodibenzofuran-4-yl)-9-[6-(3-dibenzofuran-4-ylcarbazol-9-yl)-8,9-dihydrodibenzofuran-2-yl]carbazole?
The InChIKey is RMOMFNBNPAYBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2O3/c1-5-21-50-40(12-1)47-32-35(38-16-9-18-44-42-14-3-7-24-55(42)63-58(38)44)26-29-52(47)61(50)37-28-31-57-49(34-37)46-20-11-23-54(60(46)65-57)62-51-22-6-2-13-41(51)48-33-36(27-30-53(48)62)39-17-10-19-45-43-15-4-8-25-56(43)64-59(39)45/h1-10,12-19,21-34,44,58H,11,20H2.
What are the key properties of 3-(4a,9b-dihydrodibenzofuran-4-yl)-9-[6-(3-dibenzofuran-4-ylcarbazol-9-yl)-8,9-dihydrodibenzofuran-2-yl]carbazole?
3-(4a,9b-dihydrodibenzofuran-4-yl)-9-[6-(3-dibenzofuran-4-ylcarbazol-9-yl)-8,9-dihydrodibenzofuran-2-yl]carbazole has a molecular weight of 834.98 g/mol, XLogP of 15.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4a,9b-dihydrodibenzofuran-4-yl)-9-[6-(3-dibenzofuran-4-ylcarbazol-9-yl)-8,9-dihydrodibenzofuran-2-yl]carbazole is sourced from PubChem (CID 163935646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).