methane;3-phenyl-9,9'-spirobi[fluorene]

C33H28 — CID 145237340

IUPACmethane;3-phenyl-9,9'-spirobi[fluorene]
SMILESC.C.c1ccc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C31H20.2CH4/c1-2-10-21(11-3-1)22-18-19-30-26(20-22)25-14-6-9-17-29(25)31(30)27-15-7-4-12-23(27)24-13-5-8-16-28(24)31;;/h1-20H;2*1H4
InChIKeyGOEWZQVNRRWLIL-UHFFFAOYSA-N
MW424.59 g/mol
LogP8.97
Rot. Bonds1

About methane;3-phenyl-9,9'-spirobi[fluorene]

methane;3-phenyl-9,9'-spirobi[fluorene] (PubChem CID 145237340) has the molecular formula C33H28 and a molecular weight of 424.59 g/mol. Its IUPAC name is methane;3-phenyl-9,9'-spirobi[fluorene].

Molecular Properties

Compound Namemethane;3-phenyl-9,9'-spirobi[fluorene]
PubChem CID145237340
Molecular FormulaC33H28
Molecular Weight424.59 g/mol
Exact Mass424.22
IUPAC Namemethane;3-phenyl-9,9'-spirobi[fluorene]
SMILESC.C.c1ccc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C31H20.2CH4/c1-2-10-21(11-3-1)22-18-19-30-26(20-22)25-14-6-9-17-29(25)31(30)27-15-7-4-12-23(27)24-13-5-8-16-28(24)31;;/h1-20H;2*1H4
InChIKeyGOEWZQVNRRWLIL-UHFFFAOYSA-N
XLogP8.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,3'-diphenyl-9,9'-spirobi[fluorene]
CID 58789520
3,9,9-triphenylfluorene
CID 140844354
19'-(3,5-diphenylphenyl)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(22),18,20-dodecaene]
CID 158550157
N,N-diphenyl-4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylaniline
CID 130262865
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
CID 134272055
N-(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline
CID 138577304
N-phenyl-3-(9,9'-spirobi[fluorene]-3-yl)aniline
CID 166714648
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146494836
4-phenyl-6-(4-phenylphenyl)-2-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyrimidine
CID 167344509
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 142504402
2,4-diphenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine
CID 130261102

Frequently Asked Questions

What is the IUPAC name of methane;3-phenyl-9,9'-spirobi[fluorene]?
The IUPAC name of methane;3-phenyl-9,9'-spirobi[fluorene] (CID 145237340) is methane;3-phenyl-9,9'-spirobi[fluorene].
What is the SMILES notation for methane;3-phenyl-9,9'-spirobi[fluorene]?
The canonical SMILES for methane;3-phenyl-9,9'-spirobi[fluorene] is C.C.c1ccc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of methane;3-phenyl-9,9'-spirobi[fluorene]?
The InChIKey is GOEWZQVNRRWLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20.2CH4/c1-2-10-21(11-3-1)22-18-19-30-26(20-22)25-14-6-9-17-29(25)31(30)27-15-7-4-12-23(27)24-13-5-8-16-28(24)31;;/h1-20H;2*1H4.
What are the key properties of methane;3-phenyl-9,9'-spirobi[fluorene]?
methane;3-phenyl-9,9'-spirobi[fluorene] has a molecular weight of 424.59 g/mol, XLogP of 8.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-phenyl-9,9'-spirobi[fluorene] is sourced from PubChem (CID 145237340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).