2'-(4,6-diphenylpyrimidin-2-yl)-10-phenyl-7'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene]

C66H43N5 — CID 118688217

IUPAC2'-(4,6-diphenylpyrimidin-2-yl)-10-phenyl-7'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene]
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)ccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)n2)cc1
InChIInChI=1S/C66H43N5/c1-5-19-45(20-6-1)59-43-60(46-21-7-2-8-22-46)68-64(67-59)49-38-40-53-52-39-37-48(44-33-35-47(36-34-44)65-69-58-29-15-18-32-63(58)71(65)51-25-11-4-12-26-51)41-56(52)66(57(53)42-49)54-27-13-16-30-61(54)70(50-23-9-3-10-24-50)62-31-17-14-28-55(62)66/h1-43H
InChIKeyGQQMVMRXMNOCKR-UHFFFAOYSA-N
MW906.11 g/mol
LogP16.30
Rot. Bonds7

About 2'-(4,6-diphenylpyrimidin-2-yl)-10-phenyl-7'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene]

2'-(4,6-diphenylpyrimidin-2-yl)-10-phenyl-7'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene] (PubChem CID 118688217) has the molecular formula C66H43N5 and a molecular weight of 906.11 g/mol. Its IUPAC name is 2'-(4,6-diphenylpyrimidin-2-yl)-10-phenyl-7'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene].

Molecular Properties

Compound Name2'-(4,6-diphenylpyrimidin-2-yl)-10-phenyl-7'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene]
PubChem CID118688217
Molecular FormulaC66H43N5
Molecular Weight906.11 g/mol
Exact Mass905.35
IUPAC Name2'-(4,6-diphenylpyrimidin-2-yl)-10-phenyl-7'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene]
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)ccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)n2)cc1
InChIInChI=1S/C66H43N5/c1-5-19-45(20-6-1)59-43-60(46-21-7-2-8-22-46)68-64(67-59)49-38-40-53-52-39-37-48(44-33-35-47(36-34-44)65-69-58-29-15-18-32-63(58)71(65)51-25-11-4-12-26-51)41-56(52)66(57(53)42-49)54-27-13-16-30-61(54)70(50-23-9-3-10-24-50)62-31-17-14-28-55(62)66/h1-43H
InChIKeyGQQMVMRXMNOCKR-UHFFFAOYSA-N
XLogP16.30
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.11
LogP ≤ 516.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
CID 170942090
1-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,7-diphenyl-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole
CID 118688194
2'-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263243
2'-(2,6-diphenylpyrimidin-4-yl)-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263417
1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole
CID 118688206
2'-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 167176793
9,9-dimethyl-10-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]acridine;ethane
CID 158720213
2-[4-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;2-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]phenyl]benzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]benzimidazole
CID 161378320
2'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 139521181
2-[4-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)phenyl]-1-phenylbenzimidazole
CID 130287427
1-[3-[4-(2',7'-diphenyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 118688264
2'-[3-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263735

Frequently Asked Questions

What is the IUPAC name of 2'-(4,6-diphenylpyrimidin-2-yl)-10-phenyl-7'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene]?
The IUPAC name of 2'-(4,6-diphenylpyrimidin-2-yl)-10-phenyl-7'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene] (CID 118688217) is 2'-(4,6-diphenylpyrimidin-2-yl)-10-phenyl-7'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene].
What is the SMILES notation for 2'-(4,6-diphenylpyrimidin-2-yl)-10-phenyl-7'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene]?
The canonical SMILES for 2'-(4,6-diphenylpyrimidin-2-yl)-10-phenyl-7'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene] is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)ccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)n2)cc1.
What is the InChIKey of 2'-(4,6-diphenylpyrimidin-2-yl)-10-phenyl-7'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene]?
The InChIKey is GQQMVMRXMNOCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N5/c1-5-19-45(20-6-1)59-43-60(46-21-7-2-8-22-46)68-64(67-59)49-38-40-53-52-39-37-48(44-33-35-47(36-34-44)65-69-58-29-15-18-32-63(58)71(65)51-25-11-4-12-26-51)41-56(52)66(57(53)42-49)54-27-13-16-30-61(54)70(50-23-9-3-10-24-50)62-31-17-14-28-55(62)66/h1-43H.
What are the key properties of 2'-(4,6-diphenylpyrimidin-2-yl)-10-phenyl-7'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene]?
2'-(4,6-diphenylpyrimidin-2-yl)-10-phenyl-7'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene] has a molecular weight of 906.11 g/mol, XLogP of 16.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(4,6-diphenylpyrimidin-2-yl)-10-phenyl-7'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 118688217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).