5-(4a,9b-dihydrodibenzofuran-2-yl)-5'-dibenzofuran-2-yl-7,7'-spirobi[indeno[2,1-b]carbazole]

C61H36N2O2 — CID 129136413

IUPAC5-(4a,9b-dihydrodibenzofuran-2-yl)-5'-dibenzofuran-2-yl-7,7'-spirobi[indeno[2,1-b]carbazole]
SMILESC1=CC2Oc3ccccc3C2C=C1n1c2ccccc2c2cc3c(cc21)C1(c2ccccc2-3)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5oc6ccccc6c5c4)c3cc21
InChIInChI=1S/C61H36N2O2/c1-7-19-49-37(13-1)43-31-45-39-15-3-9-21-53(39)62(35-25-27-59-47(29-35)41-17-5-11-23-57(41)64-59)55(45)33-51(43)61(49)50-20-8-2-14-38(50)44-32-46-40-16-4-10-22-54(40)63(56(46)34-52(44)61)36-26-28-60-48(30-36)42-18-6-12-24-58(42)65-60/h1-34,47,59H
InChIKeyRZXXMZXZKRNBDA-UHFFFAOYSA-N
MW828.97 g/mol
LogP15.09
Rot. Bonds2

About 5-(4a,9b-dihydrodibenzofuran-2-yl)-5'-dibenzofuran-2-yl-7,7'-spirobi[indeno[2,1-b]carbazole]

5-(4a,9b-dihydrodibenzofuran-2-yl)-5'-dibenzofuran-2-yl-7,7'-spirobi[indeno[2,1-b]carbazole] (PubChem CID 129136413) has the molecular formula C61H36N2O2 and a molecular weight of 828.97 g/mol. Its IUPAC name is 5-(4a,9b-dihydrodibenzofuran-2-yl)-5'-dibenzofuran-2-yl-7,7'-spirobi[indeno[2,1-b]carbazole].

Molecular Properties

Compound Name5-(4a,9b-dihydrodibenzofuran-2-yl)-5'-dibenzofuran-2-yl-7,7'-spirobi[indeno[2,1-b]carbazole]
PubChem CID129136413
Molecular FormulaC61H36N2O2
Molecular Weight828.97 g/mol
Exact Mass828.28
IUPAC Name5-(4a,9b-dihydrodibenzofuran-2-yl)-5'-dibenzofuran-2-yl-7,7'-spirobi[indeno[2,1-b]carbazole]
SMILESC1=CC2Oc3ccccc3C2C=C1n1c2ccccc2c2cc3c(cc21)C1(c2ccccc2-3)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5oc6ccccc6c5c4)c3cc21
InChIInChI=1S/C61H36N2O2/c1-7-19-49-37(13-1)43-31-45-39-15-3-9-21-53(39)62(35-25-27-59-47(29-35)41-17-5-11-23-57(41)64-59)55(45)33-51(43)61(49)50-20-8-2-14-38(50)44-32-46-40-16-4-10-22-54(40)63(56(46)34-52(44)61)36-26-28-60-48(30-36)42-18-6-12-24-58(42)65-60/h1-34,47,59H
InChIKeyRZXXMZXZKRNBDA-UHFFFAOYSA-N
XLogP15.09
TPSA32.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.97
LogP ≤ 515.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 134551686
CID 134551686
5-(4a,9b-dihydrodibenzofuran-2-yl)-21-dibenzofuran-2-yl-5,21-diazanonacyclo[16.14.1.12,13.04,12.06,11.020,28.022,27.029,33.017,34]tetratriaconta-1(33),2,4(12),6,8,10,13,15,17(34),18,20(28),22,24,26,29,31-hexadecaene
CID 163986854
CID 134551634
CID 134551634
9-[3-(8-carbazol-9-yl-5a,9a-dihydrodibenzofuran-2-yl)-5-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazole
CID 87415451
5-(4a,9b-dihydrodibenzofuran-2-yl)-2-carbazol-9-yl-7,10-diphenylindolo[2,3-b]carbazole
CID 71234625
5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 89472024
12'-dibenzofuran-2-ylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90253710
9-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylphenyl)carbazole
CID 153483764
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(9,9-diphenylfluoren-2-yl)carbazole
CID 137401879
5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
3-(6-dibenzofuran-2-yl-9,9'-spirobi[fluorene]-3-yl)-9-(4-methylphenyl)carbazole
CID 121400315
3-methyl-9-(8-methyl-4a,9b-dihydrodibenzofuran-2-yl)carbazole
CID 138722958

Frequently Asked Questions

What is the IUPAC name of 5-(4a,9b-dihydrodibenzofuran-2-yl)-5'-dibenzofuran-2-yl-7,7'-spirobi[indeno[2,1-b]carbazole]?
The IUPAC name of 5-(4a,9b-dihydrodibenzofuran-2-yl)-5'-dibenzofuran-2-yl-7,7'-spirobi[indeno[2,1-b]carbazole] (CID 129136413) is 5-(4a,9b-dihydrodibenzofuran-2-yl)-5'-dibenzofuran-2-yl-7,7'-spirobi[indeno[2,1-b]carbazole].
What is the SMILES notation for 5-(4a,9b-dihydrodibenzofuran-2-yl)-5'-dibenzofuran-2-yl-7,7'-spirobi[indeno[2,1-b]carbazole]?
The canonical SMILES for 5-(4a,9b-dihydrodibenzofuran-2-yl)-5'-dibenzofuran-2-yl-7,7'-spirobi[indeno[2,1-b]carbazole] is C1=CC2Oc3ccccc3C2C=C1n1c2ccccc2c2cc3c(cc21)C1(c2ccccc2-3)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5oc6ccccc6c5c4)c3cc21.
What is the InChIKey of 5-(4a,9b-dihydrodibenzofuran-2-yl)-5'-dibenzofuran-2-yl-7,7'-spirobi[indeno[2,1-b]carbazole]?
The InChIKey is RZXXMZXZKRNBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H36N2O2/c1-7-19-49-37(13-1)43-31-45-39-15-3-9-21-53(39)62(35-25-27-59-47(29-35)41-17-5-11-23-57(41)64-59)55(45)33-51(43)61(49)50-20-8-2-14-38(50)44-32-46-40-16-4-10-22-54(40)63(56(46)34-52(44)61)36-26-28-60-48(30-36)42-18-6-12-24-58(42)65-60/h1-34,47,59H.
What are the key properties of 5-(4a,9b-dihydrodibenzofuran-2-yl)-5'-dibenzofuran-2-yl-7,7'-spirobi[indeno[2,1-b]carbazole]?
5-(4a,9b-dihydrodibenzofuran-2-yl)-5'-dibenzofuran-2-yl-7,7'-spirobi[indeno[2,1-b]carbazole] has a molecular weight of 828.97 g/mol, XLogP of 15.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4a,9b-dihydrodibenzofuran-2-yl)-5'-dibenzofuran-2-yl-7,7'-spirobi[indeno[2,1-b]carbazole] is sourced from PubChem (CID 129136413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).