2-[2'-(9,9'-spirobi[fluorene]-2-yl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-yl]-9,9'-spirobi[fluorene]

C75H46 — CID 144602980

IUPAC2-[2'-(9,9'-spirobi[fluorene]-2-yl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-yl]-9,9'-spirobi[fluorene]
SMILESC1=C2C(=CCC1)C1(c3cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)ccc32)c2ccccc2-c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/C75H46/c1-9-25-61-49(17-1)50-18-2-10-26-62(50)73(61)65-29-13-5-21-53(65)57-37-33-45(41-69(57)73)47-35-39-59-55-23-7-15-31-67(55)75(71(59)43-47)68-32-16-8-24-56(68)60-40-36-48(44-72(60)75)46-34-38-58-54-22-6-14-30-66(54)74(70(58)42-46)63-27-11-3-19-51(63)52-20-4-12-28-64(52)74/h1-7,9-15,17-44H,8,16H2
InChIKeyOTDCKNUPJDVTSZ-UHFFFAOYSA-N
MW947.19 g/mol
LogP18.14
Rot. Bonds2

About 2-[2'-(9,9'-spirobi[fluorene]-2-yl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-yl]-9,9'-spirobi[fluorene]

2-[2'-(9,9'-spirobi[fluorene]-2-yl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-yl]-9,9'-spirobi[fluorene] (PubChem CID 144602980) has the molecular formula C75H46 and a molecular weight of 947.19 g/mol. Its IUPAC name is 2-[2'-(9,9'-spirobi[fluorene]-2-yl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-yl]-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2-[2'-(9,9'-spirobi[fluorene]-2-yl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-yl]-9,9'-spirobi[fluorene]
PubChem CID144602980
Molecular FormulaC75H46
Molecular Weight947.19 g/mol
Exact Mass946.36
IUPAC Name2-[2'-(9,9'-spirobi[fluorene]-2-yl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-yl]-9,9'-spirobi[fluorene]
SMILESC1=C2C(=CCC1)C1(c3cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)ccc32)c2ccccc2-c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/C75H46/c1-9-25-61-49(17-1)50-18-2-10-26-62(50)73(61)65-29-13-5-21-53(65)57-37-33-45(41-69(57)73)47-35-39-59-55-23-7-15-31-67(55)75(71(59)43-47)68-32-16-8-24-56(68)60-40-36-48(44-72(60)75)46-34-38-58-54-22-6-14-30-66(54)74(70(58)42-46)63-27-11-3-19-51(63)52-20-4-12-28-64(52)74/h1-7,9-15,17-44H,8,16H2
InChIKeyOTDCKNUPJDVTSZ-UHFFFAOYSA-N
XLogP18.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500947.19
LogP ≤ 518.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[2'-(9,9'-spirobi[fluorene]-2-yl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-yl]-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

N-(2-phenylphenyl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-amine
CID 123741580
2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 101469787
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-amine
CID 126542786
2-(4-chlorophenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130264027
9,9-dimethyl-2,3-dihydrofluorene
CID 123727902
2',7'-bis(9,9'-spirobi[fluorene]-1'-yl)-9,9'-spirobi[fluorene]
CID 141243906
2-(3-iodophenyl)-9,9'-spirobi[fluorene]
CID 59668504
2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
CID 142716244
N-(3-phenylphenyl)-N-(7-phenylspiro[2,3-dihydrofluorene-9,9'-fluorene]-2'-yl)-10H-cyclohepta[b][1]benzofuran-1-amine
CID 139297509
2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 129150894
2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873

Frequently Asked Questions

What is the IUPAC name of 2-[2'-(9,9'-spirobi[fluorene]-2-yl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-yl]-9,9'-spirobi[fluorene]?
The IUPAC name of 2-[2'-(9,9'-spirobi[fluorene]-2-yl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-yl]-9,9'-spirobi[fluorene] (CID 144602980) is 2-[2'-(9,9'-spirobi[fluorene]-2-yl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-yl]-9,9'-spirobi[fluorene].
What is the SMILES notation for 2-[2'-(9,9'-spirobi[fluorene]-2-yl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-yl]-9,9'-spirobi[fluorene]?
The canonical SMILES for 2-[2'-(9,9'-spirobi[fluorene]-2-yl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-yl]-9,9'-spirobi[fluorene] is C1=C2C(=CCC1)C1(c3cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)ccc32)c2ccccc2-c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.
What is the InChIKey of 2-[2'-(9,9'-spirobi[fluorene]-2-yl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-yl]-9,9'-spirobi[fluorene]?
The InChIKey is OTDCKNUPJDVTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H46/c1-9-25-61-49(17-1)50-18-2-10-26-62(50)73(61)65-29-13-5-21-53(65)57-37-33-45(41-69(57)73)47-35-39-59-55-23-7-15-31-67(55)75(71(59)43-47)68-32-16-8-24-56(68)60-40-36-48(44-72(60)75)46-34-38-58-54-22-6-14-30-66(54)74(70(58)42-46)63-27-11-3-19-51(63)52-20-4-12-28-64(52)74/h1-7,9-15,17-44H,8,16H2.
What are the key properties of 2-[2'-(9,9'-spirobi[fluorene]-2-yl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-yl]-9,9'-spirobi[fluorene]?
2-[2'-(9,9'-spirobi[fluorene]-2-yl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-yl]-9,9'-spirobi[fluorene] has a molecular weight of 947.19 g/mol, XLogP of 18.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2'-(9,9'-spirobi[fluorene]-2-yl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-yl]-9,9'-spirobi[fluorene] is sourced from PubChem (CID 144602980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).