2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1-[4-[4-[(2E)-7-fluoro-2-(4-fluoro-1,3-diphenylbenzimidazol-2-ylidene)-3-phenylbenzimidazol-1-yl]phenyl]phenyl]-3-phenylbenzimidazole

C76H48F6N8 — CID 134437395

IUPAC2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1-[4-[4-[(2E)-7-fluoro-2-(4-fluoro-1,3-diphenylbenzimidazol-2-ylidene)-3-phenylbenzimidazol-1-yl]phenyl]phenyl]-3-phenylbenzimidazole
SMILESFc1cc2c(cc1F)N(c1ccccc1)C(=C1N(c3ccccc3)c3cc(F)c(F)cc3N1c1ccc(-c3ccc(N4/C(=C5\N(c6ccccc6)c6cccc(F)c6N5c5ccccc5)N(c5ccccc5)c5cccc(F)c54)cc3)cc1)N2c1ccccc1
InChIInChI=1S/C76H48F6N8/c77-59-33-19-35-65-71(59)89(56-31-17-6-18-32-56)75(83(65)51-21-7-1-8-22-51)76-84(52-23-9-2-10-24-52)66-36-20-34-60(78)72(66)90(76)58-43-39-50(40-44-58)49-37-41-57(42-38-49)88-70-48-64(82)63(81)47-69(70)87(55-29-15-5-16-30-55)74(88)73-85(53-25-11-3-12-26-53)67-45-61(79)62(80)46-68(67)86(73)54-27-13-4-14-28-54/h1-48H/b76-75+
InChIKeyBWYXYNXUAUQOMY-ZMFPCWMMSA-N
MW1187.26 g/mol
LogP21.00
Rot. Bonds9

About 2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1-[4-[4-[(2E)-7-fluoro-2-(4-fluoro-1,3-diphenylbenzimidazol-2-ylidene)-3-phenylbenzimidazol-1-yl]phenyl]phenyl]-3-phenylbenzimidazole

2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1-[4-[4-[(2E)-7-fluoro-2-(4-fluoro-1,3-diphenylbenzimidazol-2-ylidene)-3-phenylbenzimidazol-1-yl]phenyl]phenyl]-3-phenylbenzimidazole (PubChem CID 134437395) has the molecular formula C76H48F6N8 and a molecular weight of 1187.26 g/mol. Its IUPAC name is 2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1-[4-[4-[(2E)-7-fluoro-2-(4-fluoro-1,3-diphenylbenzimidazol-2-ylidene)-3-phenylbenzimidazol-1-yl]phenyl]phenyl]-3-phenylbenzimidazole.

Molecular Properties

Compound Name2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1-[4-[4-[(2E)-7-fluoro-2-(4-fluoro-1,3-diphenylbenzimidazol-2-ylidene)-3-phenylbenzimidazol-1-yl]phenyl]phenyl]-3-phenylbenzimidazole
PubChem CID134437395
Molecular FormulaC76H48F6N8
Molecular Weight1187.26 g/mol
Exact Mass1186.39
IUPAC Name2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1-[4-[4-[(2E)-7-fluoro-2-(4-fluoro-1,3-diphenylbenzimidazol-2-ylidene)-3-phenylbenzimidazol-1-yl]phenyl]phenyl]-3-phenylbenzimidazole
SMILESFc1cc2c(cc1F)N(c1ccccc1)C(=C1N(c3ccccc3)c3cc(F)c(F)cc3N1c1ccc(-c3ccc(N4/C(=C5\N(c6ccccc6)c6cccc(F)c6N5c5ccccc5)N(c5ccccc5)c5cccc(F)c54)cc3)cc1)N2c1ccccc1
InChIInChI=1S/C76H48F6N8/c77-59-33-19-35-65-71(59)89(56-31-17-6-18-32-56)75(83(65)51-21-7-1-8-22-51)76-84(52-23-9-2-10-24-52)66-36-20-34-60(78)72(66)90(76)58-43-39-50(40-44-58)49-37-41-57(42-38-49)88-70-48-64(82)63(81)47-69(70)87(55-29-15-5-16-30-55)74(88)73-85(53-25-11-3-12-26-53)67-45-61(79)62(80)46-68(67)86(73)54-27-13-4-14-28-54/h1-48H/b76-75+
InChIKeyBWYXYNXUAUQOMY-ZMFPCWMMSA-N
XLogP21.00
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001187.26
LogP ≤ 521.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1-[4-[4-[(2E)-7-fluoro-2-(4-fluoro-1,3-diphenylbenzimidazol-2-ylidene)-3-phenylbenzimidazol-1-yl]phenyl]phenyl]-3-phenylbenzimidazole with MolForge

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Related Compounds

2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1,3-diphenylbenzimidazole
CID 129174928
5-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-10-phenylphenazine
CID 153293260
10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
CID 155186108
2,3-dimethyl-5,12-bis(4-phenylphenyl)benzo[b]phenazine;methane
CID 160942260
8,14-diphenyl-4,18-dipyridin-2-yl-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 156629748
2-[1,3-bis(4-fluoro-3-propan-2-ylphenyl)benzimidazol-2-ylidene]-1,3-bis(4-fluoro-3-propan-2-ylphenyl)benzimidazole
CID 129174892
5,8,13,21-tetraphenyl-5,21-diaza-1,17-diboranonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11(16),12,14,18,22,24,26(33),27,29,31-pentadecaene
CID 165377694
2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)phenyl]isoindole-1,3-dione
CID 168518278
8-[4-(4-carbazol-9-ylphenyl)phenyl]-17-fluoro-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene
CID 118685529
5,8,11,14,22-pentakis-phenyl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 140849110
1-phenyl-8,14,22-tris(4-phenylphenyl)-8,14,22-triaza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 140849548
14-[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene;vanadium
CID 159673552

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1-[4-[4-[(2E)-7-fluoro-2-(4-fluoro-1,3-diphenylbenzimidazol-2-ylidene)-3-phenylbenzimidazol-1-yl]phenyl]phenyl]-3-phenylbenzimidazole?
The IUPAC name of 2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1-[4-[4-[(2E)-7-fluoro-2-(4-fluoro-1,3-diphenylbenzimidazol-2-ylidene)-3-phenylbenzimidazol-1-yl]phenyl]phenyl]-3-phenylbenzimidazole (CID 134437395) is 2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1-[4-[4-[(2E)-7-fluoro-2-(4-fluoro-1,3-diphenylbenzimidazol-2-ylidene)-3-phenylbenzimidazol-1-yl]phenyl]phenyl]-3-phenylbenzimidazole.
What is the SMILES notation for 2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1-[4-[4-[(2E)-7-fluoro-2-(4-fluoro-1,3-diphenylbenzimidazol-2-ylidene)-3-phenylbenzimidazol-1-yl]phenyl]phenyl]-3-phenylbenzimidazole?
The canonical SMILES for 2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1-[4-[4-[(2E)-7-fluoro-2-(4-fluoro-1,3-diphenylbenzimidazol-2-ylidene)-3-phenylbenzimidazol-1-yl]phenyl]phenyl]-3-phenylbenzimidazole is Fc1cc2c(cc1F)N(c1ccccc1)C(=C1N(c3ccccc3)c3cc(F)c(F)cc3N1c1ccc(-c3ccc(N4/C(=C5\N(c6ccccc6)c6cccc(F)c6N5c5ccccc5)N(c5ccccc5)c5cccc(F)c54)cc3)cc1)N2c1ccccc1.
What is the InChIKey of 2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1-[4-[4-[(2E)-7-fluoro-2-(4-fluoro-1,3-diphenylbenzimidazol-2-ylidene)-3-phenylbenzimidazol-1-yl]phenyl]phenyl]-3-phenylbenzimidazole?
The InChIKey is BWYXYNXUAUQOMY-ZMFPCWMMSA-N. The full InChI is InChI=1S/C76H48F6N8/c77-59-33-19-35-65-71(59)89(56-31-17-6-18-32-56)75(83(65)51-21-7-1-8-22-51)76-84(52-23-9-2-10-24-52)66-36-20-34-60(78)72(66)90(76)58-43-39-50(40-44-58)49-37-41-57(42-38-49)88-70-48-64(82)63(81)47-69(70)87(55-29-15-5-16-30-55)74(88)73-85(53-25-11-3-12-26-53)67-45-61(79)62(80)46-68(67)86(73)54-27-13-4-14-28-54/h1-48H/b76-75+.
What are the key properties of 2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1-[4-[4-[(2E)-7-fluoro-2-(4-fluoro-1,3-diphenylbenzimidazol-2-ylidene)-3-phenylbenzimidazol-1-yl]phenyl]phenyl]-3-phenylbenzimidazole?
2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1-[4-[4-[(2E)-7-fluoro-2-(4-fluoro-1,3-diphenylbenzimidazol-2-ylidene)-3-phenylbenzimidazol-1-yl]phenyl]phenyl]-3-phenylbenzimidazole has a molecular weight of 1187.26 g/mol, XLogP of 21.00, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1-[4-[4-[(2E)-7-fluoro-2-(4-fluoro-1,3-diphenylbenzimidazol-2-ylidene)-3-phenylbenzimidazol-1-yl]phenyl]phenyl]-3-phenylbenzimidazole is sourced from PubChem (CID 134437395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).