4'-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-1',2',6',7'-tetramethyl-9,9'-spirobi[fluorene]

C59H50 — CID 163289513

IUPAC4'-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-1',2',6',7'-tetramethyl-9,9'-spirobi[fluorene]
SMILESCc1cc2c(cc1C)C1(c3ccccc3-c3ccccc31)c1c(C)c(C)cc(CCC(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c1-2
InChIInChI=1S/C59H50/c1-36-33-50-55(34-37(36)2)59(52-22-14-11-19-47(52)48-20-12-15-23-53(48)59)57-39(4)38(3)32-44(56(50)57)29-30-45(42-26-24-41(25-27-42)40-16-8-7-9-17-40)43-28-31-49-46-18-10-13-21-51(46)58(5,6)54(49)35-43/h7-28,31-35,45H,29-30H2,1-6H3
InChIKeyKGZWGNJVFGYZQU-UHFFFAOYSA-N
MW759.05 g/mol
LogP15.00
Rot. Bonds6

About 4'-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-1',2',6',7'-tetramethyl-9,9'-spirobi[fluorene]

4'-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-1',2',6',7'-tetramethyl-9,9'-spirobi[fluorene] (PubChem CID 163289513) has the molecular formula C59H50 and a molecular weight of 759.05 g/mol. Its IUPAC name is 4'-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-1',2',6',7'-tetramethyl-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name4'-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-1',2',6',7'-tetramethyl-9,9'-spirobi[fluorene]
PubChem CID163289513
Molecular FormulaC59H50
Molecular Weight759.05 g/mol
Exact Mass758.39
IUPAC Name4'-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-1',2',6',7'-tetramethyl-9,9'-spirobi[fluorene]
SMILESCc1cc2c(cc1C)C1(c3ccccc3-c3ccccc31)c1c(C)c(C)cc(CCC(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c1-2
InChIInChI=1S/C59H50/c1-36-33-50-55(34-37(36)2)59(52-22-14-11-19-47(52)48-20-12-15-23-53(48)59)57-39(4)38(3)32-44(56(50)57)29-30-45(42-26-24-41(25-27-42)40-16-8-7-9-17-40)43-28-31-49-46-18-10-13-21-51(46)58(5,6)54(49)35-43/h7-28,31-35,45H,29-30H2,1-6H3
InChIKeyKGZWGNJVFGYZQU-UHFFFAOYSA-N
XLogP15.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.05
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4'-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-1',2',6',7'-tetramethyl-9,9'-spirobi[fluorene] 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

9,9-dimethyl-2-[1-(4-phenylphenyl)propyl]fluorene
CID 144810151
2-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-6,6,12,12-tetramethyl-4-phenylindeno[1,2-b]fluorene
CID 142541185
4-chloro-2-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-6,6,12,12-tetramethylindeno[1,2-b]fluorene
CID 138455798
4'-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]
CID 140941835
6-[4-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]phenyl]-3,3-dimethyl-11-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene
CID 144605658
2-[2-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)ethyl]-9,9-bis(3-fluorophenyl)-6-(4-phenylphenyl)fluorene
CID 146644661
2-[4-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9,9-dimethylfluorene
CID 165167642
2-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]phenyl]fluoren-9-yl]phenyl]-5-phenylphenyl]-9,9-dimethylfluorene
CID 140873520
2'-[4-(9,9-dimethylfluoren-2-yl)-3-(2-methyl-4-phenylphenyl)butyl]-5'-phenyl-9,9'-spirobi[fluorene]
CID 142521242
2-[[2-(9,9-diphenylfluoren-4-yl)phenyl]-(4-phenylphenyl)methyl]-9,9-dimethylfluorene
CID 155609383
8-[1,2-bis(4-phenylphenyl)ethyl]-4-chloro-10,10,12,12-tetramethylindeno[2,1-b]fluorene
CID 138455800
N-[4-[4-(1,3-diphenylpropyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 123648754

Frequently Asked Questions

What is the IUPAC name of 4'-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-1',2',6',7'-tetramethyl-9,9'-spirobi[fluorene]?
The IUPAC name of 4'-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-1',2',6',7'-tetramethyl-9,9'-spirobi[fluorene] (CID 163289513) is 4'-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-1',2',6',7'-tetramethyl-9,9'-spirobi[fluorene].
What is the SMILES notation for 4'-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-1',2',6',7'-tetramethyl-9,9'-spirobi[fluorene]?
The canonical SMILES for 4'-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-1',2',6',7'-tetramethyl-9,9'-spirobi[fluorene] is Cc1cc2c(cc1C)C1(c3ccccc3-c3ccccc31)c1c(C)c(C)cc(CCC(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c1-2.
What is the InChIKey of 4'-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-1',2',6',7'-tetramethyl-9,9'-spirobi[fluorene]?
The InChIKey is KGZWGNJVFGYZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H50/c1-36-33-50-55(34-37(36)2)59(52-22-14-11-19-47(52)48-20-12-15-23-53(48)59)57-39(4)38(3)32-44(56(50)57)29-30-45(42-26-24-41(25-27-42)40-16-8-7-9-17-40)43-28-31-49-46-18-10-13-21-51(46)58(5,6)54(49)35-43/h7-28,31-35,45H,29-30H2,1-6H3.
What are the key properties of 4'-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-1',2',6',7'-tetramethyl-9,9'-spirobi[fluorene]?
4'-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-1',2',6',7'-tetramethyl-9,9'-spirobi[fluorene] has a molecular weight of 759.05 g/mol, XLogP of 15.00, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-1',2',6',7'-tetramethyl-9,9'-spirobi[fluorene] is sourced from PubChem (CID 163289513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).