5-[9-(9,9'-spirobi[xanthene]-2-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole

C50H30N4O2 — CID 170785662

IUPAC5-[9-(9,9'-spirobi[xanthene]-2-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2Oc2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6n6c7ccccc7nc56)cc43)cc21
InChIInChI=1S/C50H30N4O2/c1-6-18-40-33(13-1)34-27-25-32(53-42-20-8-9-21-43(42)54-41-19-7-5-17-39(41)51-49(53)54)30-44(34)52(40)31-26-28-48-38(29-31)50(37-16-4-12-24-47(37)56-48)35-14-2-10-22-45(35)55-46-23-11-3-15-36(46)50/h1-30H
InChIKeyZJEGSWPUEOFKOL-UHFFFAOYSA-N
MW718.82 g/mol
LogP12.12
Rot. Bonds2

About 5-[9-(9,9'-spirobi[xanthene]-2-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole

5-[9-(9,9'-spirobi[xanthene]-2-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 170785662) has the molecular formula C50H30N4O2 and a molecular weight of 718.82 g/mol. Its IUPAC name is 5-[9-(9,9'-spirobi[xanthene]-2-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-[9-(9,9'-spirobi[xanthene]-2-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole
PubChem CID170785662
Molecular FormulaC50H30N4O2
Molecular Weight718.82 g/mol
Exact Mass718.24
IUPAC Name5-[9-(9,9'-spirobi[xanthene]-2-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2Oc2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6n6c7ccccc7nc56)cc43)cc21
InChIInChI=1S/C50H30N4O2/c1-6-18-40-33(13-1)34-27-25-32(53-42-20-8-9-21-43(42)54-41-19-7-5-17-39(41)51-49(53)54)30-44(34)52(40)31-26-28-48-38(29-31)50(37-16-4-12-24-47(37)56-48)35-14-2-10-22-45(35)55-46-23-11-3-15-36(46)50/h1-30H
InChIKeyZJEGSWPUEOFKOL-UHFFFAOYSA-N
XLogP12.12
TPSA45.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.82
LogP ≤ 512.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[9-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 174282892
4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 122546209
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 169077493
5-[6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9,9-bis(trideuteriomethyl)xanthen-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 167413458
2'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146654397
10-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaene
CID 169077364
5-[5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9,9-dimethylxanthen-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140920098
5-[5-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]pyrido[4,3-b]indol-7-yl]benzimidazolo[1,2-a]benzimidazole
CID 169077352
11-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole
CID 170038206
3-carbazol-9-yl-5-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 118243470
5-[18-(benzimidazolo[1,2-a]benzimidazol-5-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]benzimidazolo[1,2-a]benzimidazole;5-(18-carbazol-9-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl)benzimidazolo[1,2-a]benzimidazole;1-carbazol-9-yl-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole
CID 159692495
5-[9-(4,4,5,5-tetramethyl-3-phenylpyrazolo[1,5-a]quinolin-8-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140932316

Frequently Asked Questions

What is the IUPAC name of 5-[9-(9,9'-spirobi[xanthene]-2-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-[9-(9,9'-spirobi[xanthene]-2-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole (CID 170785662) is 5-[9-(9,9'-spirobi[xanthene]-2-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-[9-(9,9'-spirobi[xanthene]-2-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-[9-(9,9'-spirobi[xanthene]-2-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole is c1ccc2c(c1)Oc1ccccc1C21c2ccccc2Oc2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6n6c7ccccc7nc56)cc43)cc21.
What is the InChIKey of 5-[9-(9,9'-spirobi[xanthene]-2-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is ZJEGSWPUEOFKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O2/c1-6-18-40-33(13-1)34-27-25-32(53-42-20-8-9-21-43(42)54-41-19-7-5-17-39(41)51-49(53)54)30-44(34)52(40)31-26-28-48-38(29-31)50(37-16-4-12-24-47(37)56-48)35-14-2-10-22-45(35)55-46-23-11-3-15-36(46)50/h1-30H.
What are the key properties of 5-[9-(9,9'-spirobi[xanthene]-2-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole?
5-[9-(9,9'-spirobi[xanthene]-2-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 718.82 g/mol, XLogP of 12.12, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(9,9'-spirobi[xanthene]-2-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 170785662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).