5-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-5-(1,2-diphenylbenzimidazol-5-yl)phenyl]-1,2-diphenylbenzimidazole

C72H50N4 — CID 164783517

IUPAC5-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-5-(1,2-diphenylbenzimidazol-5-yl)phenyl]-1,2-diphenylbenzimidazole
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3cc(-c4cc(-c5ccc6c(c5)nc(-c5ccccc5)n6-c5ccccc5)cc(-c5ccc6c(c5)nc(-c5ccccc5)n6-c5ccccc5)c4)ccc32)c2ccccc21
InChIInChI=1S/C72H50N4/c1-71(2)61-31-17-19-33-63(61)72(64-34-20-18-32-62(64)71)59-30-16-15-29-57(59)58-44-49(35-38-60(58)72)52-41-53(50-36-39-67-65(45-50)73-69(47-21-7-3-8-22-47)75(67)55-25-11-5-12-26-55)43-54(42-52)51-37-40-68-66(46-51)74-70(48-23-9-4-10-24-48)76(68)56-27-13-6-14-28-56/h3-46H,1-2H3
InChIKeyUKHKGLCBMHQUEY-UHFFFAOYSA-N
MW971.22 g/mol
LogP17.70
Rot. Bonds7

About 5-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-5-(1,2-diphenylbenzimidazol-5-yl)phenyl]-1,2-diphenylbenzimidazole

5-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-5-(1,2-diphenylbenzimidazol-5-yl)phenyl]-1,2-diphenylbenzimidazole (PubChem CID 164783517) has the molecular formula C72H50N4 and a molecular weight of 971.22 g/mol. Its IUPAC name is 5-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-5-(1,2-diphenylbenzimidazol-5-yl)phenyl]-1,2-diphenylbenzimidazole.

Molecular Properties

Compound Name5-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-5-(1,2-diphenylbenzimidazol-5-yl)phenyl]-1,2-diphenylbenzimidazole
PubChem CID164783517
Molecular FormulaC72H50N4
Molecular Weight971.22 g/mol
Exact Mass970.40
IUPAC Name5-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-5-(1,2-diphenylbenzimidazol-5-yl)phenyl]-1,2-diphenylbenzimidazole
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3cc(-c4cc(-c5ccc6c(c5)nc(-c5ccccc5)n6-c5ccccc5)cc(-c5ccc6c(c5)nc(-c5ccccc5)n6-c5ccccc5)c4)ccc32)c2ccccc21
InChIInChI=1S/C72H50N4/c1-71(2)61-31-17-19-33-63(61)72(64-34-20-18-32-62(64)71)59-30-16-15-29-57(59)58-44-49(35-38-60(58)72)52-41-53(50-36-39-67-65(45-50)73-69(47-21-7-3-8-22-47)75(67)55-25-11-5-12-26-55)43-54(42-52)51-37-40-68-66(46-51)74-70(48-23-9-4-10-24-48)76(68)56-27-13-6-14-28-56/h3-46H,1-2H3
InChIKeyUKHKGLCBMHQUEY-UHFFFAOYSA-N
XLogP17.70
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500971.22
LogP ≤ 517.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-5-(1,2-diphenylbenzimidazol-5-yl)phenyl]-1,2-diphenylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-(1,2-diphenylbenzimidazol-5-yl)-5-spiro[fluorene-9,9'-thioxanthene]-3-ylphenyl]-1,2-diphenylbenzimidazole
CID 164783790
1,2-diphenyl-5-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylbenzimidazole
CID 137494282
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)-1-phenylbenzimidazole
CID 146495261
2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenylimidazo[4,5-b]pyridine
CID 131983038
5-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-1,2-diphenylbenzimidazole
CID 129192558
2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 143828986
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828968
1,2-diphenyl-5-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole
CID 134573613
1-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenylbenzimidazole
CID 146495716
5-[(8Z)-26,26-dimethyl-22-thiaheptacyclo[21.11.0.02,7.010,15.016,21.025,33.027,32]tetratriaconta-1(23),2(7),3,5,8,10,12,14,16,18,20,24,27,29,31,33-hexadecaen-4-yl]-1,2-diphenylbenzimidazole
CID 138495896
2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
CID 170942090
6,8-bis(9,9-dimethylfluoren-2-yl)-2,4-bis(1,2-diphenylbenzimidazol-5-yl)quinazoline;6,8-bis(9,9-dimethylfluoren-2-yl)-2,4-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazoline;6,8-bis(9,9-dimethylfluoren-2-yl)-2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazoline
CID 160851371

Frequently Asked Questions

What is the IUPAC name of 5-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-5-(1,2-diphenylbenzimidazol-5-yl)phenyl]-1,2-diphenylbenzimidazole?
The IUPAC name of 5-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-5-(1,2-diphenylbenzimidazol-5-yl)phenyl]-1,2-diphenylbenzimidazole (CID 164783517) is 5-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-5-(1,2-diphenylbenzimidazol-5-yl)phenyl]-1,2-diphenylbenzimidazole.
What is the SMILES notation for 5-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-5-(1,2-diphenylbenzimidazol-5-yl)phenyl]-1,2-diphenylbenzimidazole?
The canonical SMILES for 5-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-5-(1,2-diphenylbenzimidazol-5-yl)phenyl]-1,2-diphenylbenzimidazole is CC1(C)c2ccccc2C2(c3ccccc3-c3cc(-c4cc(-c5ccc6c(c5)nc(-c5ccccc5)n6-c5ccccc5)cc(-c5ccc6c(c5)nc(-c5ccccc5)n6-c5ccccc5)c4)ccc32)c2ccccc21.
What is the InChIKey of 5-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-5-(1,2-diphenylbenzimidazol-5-yl)phenyl]-1,2-diphenylbenzimidazole?
The InChIKey is UKHKGLCBMHQUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H50N4/c1-71(2)61-31-17-19-33-63(61)72(64-34-20-18-32-62(64)71)59-30-16-15-29-57(59)58-44-49(35-38-60(58)72)52-41-53(50-36-39-67-65(45-50)73-69(47-21-7-3-8-22-47)75(67)55-25-11-5-12-26-55)43-54(42-52)51-37-40-68-66(46-51)74-70(48-23-9-4-10-24-48)76(68)56-27-13-6-14-28-56/h3-46H,1-2H3.
What are the key properties of 5-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-5-(1,2-diphenylbenzimidazol-5-yl)phenyl]-1,2-diphenylbenzimidazole?
5-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-5-(1,2-diphenylbenzimidazol-5-yl)phenyl]-1,2-diphenylbenzimidazole has a molecular weight of 971.22 g/mol, XLogP of 17.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-5-(1,2-diphenylbenzimidazol-5-yl)phenyl]-1,2-diphenylbenzimidazole is sourced from PubChem (CID 164783517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).