1'-[3-(3,5-diphenylphenyl)-2-(2-phenylphenyl)propyl]-9,9'-spirobi[fluorene]

C58H42 — CID 123187266

IUPAC1'-[3-(3,5-diphenylphenyl)-2-(2-phenylphenyl)propyl]-9,9'-spirobi[fluorene]
SMILESc1ccc(-c2cc(CC(Cc3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccccc3-c3ccccc3)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C58H42/c1-4-19-41(20-5-1)45-35-40(36-46(39-45)42-21-6-2-7-22-42)37-47(49-27-11-10-26-48(49)43-23-8-3-9-24-43)38-44-25-18-31-53-52-30-14-17-34-56(52)58(57(44)53)54-32-15-12-28-50(54)51-29-13-16-33-55(51)58/h1-36,39,47H,37-38H2
InChIKeyQXBPHISAIJDDIL-UHFFFAOYSA-N
MW738.97 g/mol
LogP14.60
Rot. Bonds8

About 1'-[3-(3,5-diphenylphenyl)-2-(2-phenylphenyl)propyl]-9,9'-spirobi[fluorene]

1'-[3-(3,5-diphenylphenyl)-2-(2-phenylphenyl)propyl]-9,9'-spirobi[fluorene] (PubChem CID 123187266) has the molecular formula C58H42 and a molecular weight of 738.97 g/mol. Its IUPAC name is 1'-[3-(3,5-diphenylphenyl)-2-(2-phenylphenyl)propyl]-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name1'-[3-(3,5-diphenylphenyl)-2-(2-phenylphenyl)propyl]-9,9'-spirobi[fluorene]
PubChem CID123187266
Molecular FormulaC58H42
Molecular Weight738.97 g/mol
Exact Mass738.33
IUPAC Name1'-[3-(3,5-diphenylphenyl)-2-(2-phenylphenyl)propyl]-9,9'-spirobi[fluorene]
SMILESc1ccc(-c2cc(CC(Cc3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccccc3-c3ccccc3)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C58H42/c1-4-19-41(20-5-1)45-35-40(36-46(39-45)42-21-6-2-7-22-42)37-47(49-27-11-10-26-48(49)43-23-8-3-9-24-43)38-44-25-18-31-53-52-30-14-17-34-56(52)58(57(44)53)54-32-15-12-28-50(54)51-29-13-16-33-55(51)58/h1-36,39,47H,37-38H2
InChIKeyQXBPHISAIJDDIL-UHFFFAOYSA-N
XLogP14.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.97
LogP ≤ 514.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[2-phenyl-2-(4-phenylphenyl)ethyl]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]
CID 145276608
4'-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]
CID 147357174
N-(3,5-diphenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 123256418
2-(3,5-diphenylphenyl)-4-(3-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine
CID 146648923
9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 140873482
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 166563560
2,4-bis(3-phenylphenyl)-6-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine
CID 90059518
4-[4-[1-(4-naphthalen-1-ylphenyl)-2-(9,9'-spirobi[fluorene]-1'-yl)ethyl]phenyl]dibenzofuran
CID 166825044
2-(3,5-diphenylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 146649156
9-[[4-[4-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)propyl]phenyl]phenyl]methyl]-10,10-dimethyl-9H-indeno[1,2-a]indene
CID 144960596
2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,4-diphenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine
CID 161308623

Frequently Asked Questions

What is the IUPAC name of 1'-[3-(3,5-diphenylphenyl)-2-(2-phenylphenyl)propyl]-9,9'-spirobi[fluorene]?
The IUPAC name of 1'-[3-(3,5-diphenylphenyl)-2-(2-phenylphenyl)propyl]-9,9'-spirobi[fluorene] (CID 123187266) is 1'-[3-(3,5-diphenylphenyl)-2-(2-phenylphenyl)propyl]-9,9'-spirobi[fluorene].
What is the SMILES notation for 1'-[3-(3,5-diphenylphenyl)-2-(2-phenylphenyl)propyl]-9,9'-spirobi[fluorene]?
The canonical SMILES for 1'-[3-(3,5-diphenylphenyl)-2-(2-phenylphenyl)propyl]-9,9'-spirobi[fluorene] is c1ccc(-c2cc(CC(Cc3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccccc3-c3ccccc3)cc(-c3ccccc3)c2)cc1.
What is the InChIKey of 1'-[3-(3,5-diphenylphenyl)-2-(2-phenylphenyl)propyl]-9,9'-spirobi[fluorene]?
The InChIKey is QXBPHISAIJDDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42/c1-4-19-41(20-5-1)45-35-40(36-46(39-45)42-21-6-2-7-22-42)37-47(49-27-11-10-26-48(49)43-23-8-3-9-24-43)38-44-25-18-31-53-52-30-14-17-34-56(52)58(57(44)53)54-32-15-12-28-50(54)51-29-13-16-33-55(51)58/h1-36,39,47H,37-38H2.
What are the key properties of 1'-[3-(3,5-diphenylphenyl)-2-(2-phenylphenyl)propyl]-9,9'-spirobi[fluorene]?
1'-[3-(3,5-diphenylphenyl)-2-(2-phenylphenyl)propyl]-9,9'-spirobi[fluorene] has a molecular weight of 738.97 g/mol, XLogP of 14.60, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[3-(3,5-diphenylphenyl)-2-(2-phenylphenyl)propyl]-9,9'-spirobi[fluorene] is sourced from PubChem (CID 123187266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).