propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]

C28H24 — CID 144938761

IUPACpropane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]
SMILESCCC.c1ccc2c(c1)-c1ccccc1C21c2ccc(cc2)-c2ccc1cc2
InChIInChI=1S/C25H16.C3H8/c1-3-7-23-21(5-1)22-6-2-4-8-24(22)25(23)19-13-9-17(10-14-19)18-11-15-20(25)16-12-18;1-3-2/h1-16H;3H2,1-2H3
InChIKeyKMNMWQRBPMYZRW-UHFFFAOYSA-N
MW360.50 g/mol
LogP7.45
Rot. Bonds

About propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]

propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene] (PubChem CID 144938761) has the molecular formula C28H24 and a molecular weight of 360.50 g/mol. Its IUPAC name is propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene].

Molecular Properties

Compound Namepropane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]
PubChem CID144938761
Molecular FormulaC28H24
Molecular Weight360.50 g/mol
Exact Mass360.19
IUPAC Namepropane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]
SMILESCCC.c1ccc2c(c1)-c1ccccc1C21c2ccc(cc2)-c2ccc1cc2
InChIInChI=1S/C25H16.C3H8/c1-3-7-23-21(5-1)22-6-2-4-8-24(22)25(23)19-13-9-17(10-14-19)18-11-15-20(25)16-12-18;1-3-2/h1-16H;3H2,1-2H3
InChIKeyKMNMWQRBPMYZRW-UHFFFAOYSA-N
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703
9,9-diphenylfluorene;propane
CID 158205050
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
9-(4-ethylphenyl)-9-phenylfluorene
CID 149284542
2-[4-[9-(4-triphenylen-2-ylphenyl)fluoren-9-yl]phenyl]triphenylene
CID 123796850
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308
2-phenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521231
2-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139521317
4-[4-[4-[9-(4-octylphenyl)fluoren-9-yl]-N-[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]anilino]phenyl]-N,N-bis[4-[9-(4-octylphenyl)fluoren-9-yl]phenyl]aniline
CID 141098766
9,9-bis(4-methylsulfanylphenyl)fluorene
CID 59263565
9,9-diphenylfluorene;methane
CID 145140147
9,9-diphenylfluorene;methane
CID 145331804

Frequently Asked Questions

What is the IUPAC name of propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]?
The IUPAC name of propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene] (CID 144938761) is propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene].
What is the SMILES notation for propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]?
The canonical SMILES for propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene] is CCC.c1ccc2c(c1)-c1ccccc1C21c2ccc(cc2)-c2ccc1cc2.
What is the InChIKey of propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]?
The InChIKey is KMNMWQRBPMYZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16.C3H8/c1-3-7-23-21(5-1)22-6-2-4-8-24(22)25(23)19-13-9-17(10-14-19)18-11-15-20(25)16-12-18;1-3-2/h1-16H;3H2,1-2H3.
What are the key properties of propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]?
propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene] has a molecular weight of 360.50 g/mol, XLogP of 7.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene] is sourced from PubChem (CID 144938761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).