3,3'-diphenyl-9,9'-spirobi[fluorene]

C37H24 — CID 58789520

IUPAC3,3'-diphenyl-9,9'-spirobi[fluorene]
SMILESc1ccc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3cc(-c4ccccc4)ccc32)cc1
InChIInChI=1S/C37H24/c1-3-11-25(12-4-1)27-19-21-35-31(23-27)29-15-7-9-17-33(29)37(35)34-18-10-8-16-30(34)32-24-28(20-22-36(32)37)26-13-5-2-6-14-26/h1-24H
InChIKeyUIXMNTWPOKOMIQ-UHFFFAOYSA-N
MW468.60 g/mol
LogP9.36
Rot. Bonds2

About 3,3'-diphenyl-9,9'-spirobi[fluorene]

3,3'-diphenyl-9,9'-spirobi[fluorene] (PubChem CID 58789520) has the molecular formula C37H24 and a molecular weight of 468.60 g/mol. Its IUPAC name is 3,3'-diphenyl-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name3,3'-diphenyl-9,9'-spirobi[fluorene]
PubChem CID58789520
Molecular FormulaC37H24
Molecular Weight468.60 g/mol
Exact Mass468.19
IUPAC Name3,3'-diphenyl-9,9'-spirobi[fluorene]
SMILESc1ccc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3cc(-c4ccccc4)ccc32)cc1
InChIInChI=1S/C37H24/c1-3-11-25(12-4-1)27-19-21-35-31(23-27)29-15-7-9-17-33(29)37(35)34-18-10-8-16-30(34)32-24-28(20-22-36(32)37)26-13-5-2-6-14-26/h1-24H
InChIKeyUIXMNTWPOKOMIQ-UHFFFAOYSA-N
XLogP9.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methane;3-phenyl-9,9'-spirobi[fluorene]
CID 145237340
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 3,3'-diphenyl-9,9'-spirobi[fluorene]?
The IUPAC name of 3,3'-diphenyl-9,9'-spirobi[fluorene] (CID 58789520) is 3,3'-diphenyl-9,9'-spirobi[fluorene].
What is the SMILES notation for 3,3'-diphenyl-9,9'-spirobi[fluorene]?
The canonical SMILES for 3,3'-diphenyl-9,9'-spirobi[fluorene] is c1ccc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3cc(-c4ccccc4)ccc32)cc1.
What is the InChIKey of 3,3'-diphenyl-9,9'-spirobi[fluorene]?
The InChIKey is UIXMNTWPOKOMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24/c1-3-11-25(12-4-1)27-19-21-35-31(23-27)29-15-7-9-17-33(29)37(35)34-18-10-8-16-30(34)32-24-28(20-22-36(32)37)26-13-5-2-6-14-26/h1-24H.
What are the key properties of 3,3'-diphenyl-9,9'-spirobi[fluorene]?
3,3'-diphenyl-9,9'-spirobi[fluorene] has a molecular weight of 468.60 g/mol, XLogP of 9.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3'-diphenyl-9,9'-spirobi[fluorene] is sourced from PubChem (CID 58789520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).