2-phenyl-1-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazole

C52H32N2 — CID 164938475

IUPAC2-phenyl-1-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazole
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-c3cc4c(c5ccccc35)-c3c(ccc5ccccc35)C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C52H32N2/c1-2-15-35(16-3-1)51-53-47-24-12-13-25-48(47)54(51)36-29-26-34(27-30-36)42-32-46-50(41-21-7-6-18-38(41)42)49-37-17-5-4-14-33(37)28-31-45(49)52(46)43-22-10-8-19-39(43)40-20-9-11-23-44(40)52/h1-32H
InChIKeyAAEXPIDSMJKOHJ-UHFFFAOYSA-N
MW684.84 g/mol
LogP13.01
Rot. Bonds3

About 2-phenyl-1-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazole

2-phenyl-1-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazole (PubChem CID 164938475) has the molecular formula C52H32N2 and a molecular weight of 684.84 g/mol. Its IUPAC name is 2-phenyl-1-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazole.

Molecular Properties

Compound Name2-phenyl-1-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazole
PubChem CID164938475
Molecular FormulaC52H32N2
Molecular Weight684.84 g/mol
Exact Mass684.26
IUPAC Name2-phenyl-1-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazole
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-c3cc4c(c5ccccc35)-c3c(ccc5ccccc35)C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C52H32N2/c1-2-15-35(16-3-1)51-53-47-24-12-13-25-48(47)54(51)36-29-26-34(27-30-36)42-32-46-50(41-21-7-6-18-38(41)42)49-37-17-5-4-14-33(37)28-31-45(49)52(46)43-22-10-8-19-39(43)40-20-9-11-23-44(40)52/h1-32H
InChIKeyAAEXPIDSMJKOHJ-UHFFFAOYSA-N
XLogP13.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.84
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-phenyl-1-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazole with MolForge

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Related Compounds

1-phenyl-2-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)benzimidazole
CID 137494336
2-phenyl-1-[3-[18'-[3-[1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazol-2-yl]propyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21),17,19-decaene]-9'-yl]phenyl]benzimidazole
CID 137494230
2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
CID 170942090
CID 23590277
CID 23590277
ethene;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole
CID 143828948
1-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenylbenzimidazole
CID 146495716
2-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 142453614
1-(4-phenylphenyl)-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylbenzimidazole
CID 134528323
CID 23590271
CID 23590271
14-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]
CID 130394114
1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole
CID 118688206
2-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 87412319

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazole?
The IUPAC name of 2-phenyl-1-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazole (CID 164938475) is 2-phenyl-1-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazole.
What is the SMILES notation for 2-phenyl-1-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazole?
The canonical SMILES for 2-phenyl-1-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazole is c1ccc(-c2nc3ccccc3n2-c2ccc(-c3cc4c(c5ccccc35)-c3c(ccc5ccccc35)C43c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of 2-phenyl-1-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazole?
The InChIKey is AAEXPIDSMJKOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2/c1-2-15-35(16-3-1)51-53-47-24-12-13-25-48(47)54(51)36-29-26-34(27-30-36)42-32-46-50(41-21-7-6-18-38(41)42)49-37-17-5-4-14-33(37)28-31-45(49)52(46)43-22-10-8-19-39(43)40-20-9-11-23-44(40)52/h1-32H.
What are the key properties of 2-phenyl-1-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazole?
2-phenyl-1-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazole has a molecular weight of 684.84 g/mol, XLogP of 13.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazole is sourced from PubChem (CID 164938475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).