4'-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]

C53H38 — CID 140941835

IUPAC4'-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]
SMILESCC1(C)c2ccccc2-c2ccc(C(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C53H38/c1-52(2)44-22-10-6-17-38(44)41-32-31-37(33-49(41)52)50(36-29-27-35(28-30-36)34-15-4-3-5-16-34)43-21-14-26-48-51(43)42-20-9-13-25-47(42)53(48)45-23-11-7-18-39(45)40-19-8-12-24-46(40)53/h3-33,50H,1-2H3
InChIKeyZAFGASZEWRQNIT-UHFFFAOYSA-N
MW674.89 g/mol
LogP13.18
Rot. Bonds4

About 4'-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]

4'-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene] (PubChem CID 140941835) has the molecular formula C53H38 and a molecular weight of 674.89 g/mol. Its IUPAC name is 4'-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name4'-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]
PubChem CID140941835
Molecular FormulaC53H38
Molecular Weight674.89 g/mol
Exact Mass674.30
IUPAC Name4'-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]
SMILESCC1(C)c2ccccc2-c2ccc(C(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C53H38/c1-52(2)44-22-10-6-17-38(44)41-32-31-37(33-49(41)52)50(36-29-27-35(28-30-36)34-15-4-3-5-16-34)43-21-14-26-48-51(43)42-20-9-13-25-47(42)53(48)45-23-11-7-18-39(45)40-19-8-12-24-46(40)53/h3-33,50H,1-2H3
InChIKeyZAFGASZEWRQNIT-UHFFFAOYSA-N
XLogP13.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.89
LogP ≤ 513.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(9,9-diphenylfluoren-4-yl)phenyl]-(4-phenylphenyl)methyl]-9,9-dimethylfluorene
CID 155609383
2-[4-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9,9-dimethylfluorene
CID 165167642
6-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-(4-phenylphenyl)methyl]-11,11-dimethyl-5-phenylbenzo[a]fluorene
CID 169280508
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057
6-(9,9-dimethylfluoren-2-yl)-1-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran
CID 169295228
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine
CID 157288223
6-(9,9-dimethylfluoren-2-yl)-1-[(9,9-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran
CID 169295503
N-(9,9-dimethylfluoren-2-yl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 129267147
9,9-dimethyl-2-[1-(4-phenylphenyl)propyl]fluorene
CID 144810151
4'-[3-[3-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-5-phenylphenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177115855
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 130325443
1-[(9,9-dimethylfluoren-4-yl)-[4-(4-phenylphenyl)phenyl]methyl]dibenzofuran
CID 145360755

Frequently Asked Questions

What is the IUPAC name of 4'-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]?
The IUPAC name of 4'-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene] (CID 140941835) is 4'-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene].
What is the SMILES notation for 4'-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]?
The canonical SMILES for 4'-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene] is CC1(C)c2ccccc2-c2ccc(C(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of 4'-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]?
The InChIKey is ZAFGASZEWRQNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38/c1-52(2)44-22-10-6-17-38(44)41-32-31-37(33-49(41)52)50(36-29-27-35(28-30-36)34-15-4-3-5-16-34)43-21-14-26-48-51(43)42-20-9-13-25-47(42)53(48)45-23-11-7-18-39(45)40-19-8-12-24-46(40)53/h3-33,50H,1-2H3.
What are the key properties of 4'-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]?
4'-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene] has a molecular weight of 674.89 g/mol, XLogP of 13.18, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene] is sourced from PubChem (CID 140941835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).