4,9-diphenyl-9-[4-(5,7,7-triphenylcyclobuta[a]inden-2-yl)phenyl]fluorene;ethane

C64H52 — CID 144938868

IUPAC4,9-diphenyl-9-[4-(5,7,7-triphenylcyclobuta[a]inden-2-yl)phenyl]fluorene;ethane
SMILESC1=C(c2ccc(C3(c4ccccc4)c4ccccc4-c4c(-c5ccccc5)cccc43)cc2)C2=C1C(c1ccccc1)(c1ccccc1)c1cc(-c3ccccc3)ccc12.CC.CC
InChIInChI=1S/C60H40.2C2H6/c1-6-19-41(20-7-1)44-35-38-51-55(39-44)60(46-25-12-4-13-26-46,47-27-14-5-15-28-47)56-40-52(58(51)56)43-33-36-48(37-34-43)59(45-23-10-3-11-24-45)53-31-17-16-29-50(53)57-49(30-18-32-54(57)59)42-21-8-2-9-22-42;2*1-2/h1-40H;2*1-2H3
InChIKeyMMAHLALDTARWFF-UHFFFAOYSA-N
MW821.12 g/mol
LogP16.63
Rot. Bonds7

About 4,9-diphenyl-9-[4-(5,7,7-triphenylcyclobuta[a]inden-2-yl)phenyl]fluorene;ethane

4,9-diphenyl-9-[4-(5,7,7-triphenylcyclobuta[a]inden-2-yl)phenyl]fluorene;ethane (PubChem CID 144938868) has the molecular formula C64H52 and a molecular weight of 821.12 g/mol. Its IUPAC name is 4,9-diphenyl-9-[4-(5,7,7-triphenylcyclobuta[a]inden-2-yl)phenyl]fluorene;ethane.

Molecular Properties

Compound Name4,9-diphenyl-9-[4-(5,7,7-triphenylcyclobuta[a]inden-2-yl)phenyl]fluorene;ethane
PubChem CID144938868
Molecular FormulaC64H52
Molecular Weight821.12 g/mol
Exact Mass820.41
IUPAC Name4,9-diphenyl-9-[4-(5,7,7-triphenylcyclobuta[a]inden-2-yl)phenyl]fluorene;ethane
SMILESC1=C(c2ccc(C3(c4ccccc4)c4ccccc4-c4c(-c5ccccc5)cccc43)cc2)C2=C1C(c1ccccc1)(c1ccccc1)c1cc(-c3ccccc3)ccc12.CC.CC
InChIInChI=1S/C60H40.2C2H6/c1-6-19-41(20-7-1)44-35-38-51-55(39-44)60(46-25-12-4-13-26-46,47-27-14-5-15-28-47)56-40-52(58(51)56)43-33-36-48(37-34-43)59(45-23-10-3-11-24-45)53-31-17-16-29-50(53)57-49(30-18-32-54(57)59)42-21-8-2-9-22-42;2*1-2/h1-40H;2*1-2H3
InChIKeyMMAHLALDTARWFF-UHFFFAOYSA-N
XLogP16.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.12
LogP ≤ 516.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]-5-phenylphenyl]-9,9'-spirobi[fluorene]
CID 177115837
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177266011
9,9-bis(3,5-dibromophenyl)-2,5-diphenylfluorene
CID 164755471
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
2-(9,9-diphenylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 160879933
10-[4-(5,9,9-triphenylfluoren-2-yl)phenyl]phenothiazine
CID 155153839
4-[2-[3-[3-[3-[3-[3-phenyl-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9-pyridin-4-ylfluoren-9-yl]pyridine
CID 177115865
5-[4-[4-(6-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]-9,9-bis(4-methylphenyl)-2-naphthalen-2-ylfluorene
CID 123832328
9,9-bis(3-bromophenyl)-5-(2-methylphenyl)-2-phenylfluorene
CID 164755389
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 158194308
bis(2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine);bis(2-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine)
CID 158861729
2-[3,5-bis(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162075973

Frequently Asked Questions

What is the IUPAC name of 4,9-diphenyl-9-[4-(5,7,7-triphenylcyclobuta[a]inden-2-yl)phenyl]fluorene;ethane?
The IUPAC name of 4,9-diphenyl-9-[4-(5,7,7-triphenylcyclobuta[a]inden-2-yl)phenyl]fluorene;ethane (CID 144938868) is 4,9-diphenyl-9-[4-(5,7,7-triphenylcyclobuta[a]inden-2-yl)phenyl]fluorene;ethane.
What is the SMILES notation for 4,9-diphenyl-9-[4-(5,7,7-triphenylcyclobuta[a]inden-2-yl)phenyl]fluorene;ethane?
The canonical SMILES for 4,9-diphenyl-9-[4-(5,7,7-triphenylcyclobuta[a]inden-2-yl)phenyl]fluorene;ethane is C1=C(c2ccc(C3(c4ccccc4)c4ccccc4-c4c(-c5ccccc5)cccc43)cc2)C2=C1C(c1ccccc1)(c1ccccc1)c1cc(-c3ccccc3)ccc12.CC.CC.
What is the InChIKey of 4,9-diphenyl-9-[4-(5,7,7-triphenylcyclobuta[a]inden-2-yl)phenyl]fluorene;ethane?
The InChIKey is MMAHLALDTARWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40.2C2H6/c1-6-19-41(20-7-1)44-35-38-51-55(39-44)60(46-25-12-4-13-26-46,47-27-14-5-15-28-47)56-40-52(58(51)56)43-33-36-48(37-34-43)59(45-23-10-3-11-24-45)53-31-17-16-29-50(53)57-49(30-18-32-54(57)59)42-21-8-2-9-22-42;2*1-2/h1-40H;2*1-2H3.
What are the key properties of 4,9-diphenyl-9-[4-(5,7,7-triphenylcyclobuta[a]inden-2-yl)phenyl]fluorene;ethane?
4,9-diphenyl-9-[4-(5,7,7-triphenylcyclobuta[a]inden-2-yl)phenyl]fluorene;ethane has a molecular weight of 821.12 g/mol, XLogP of 16.63, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-diphenyl-9-[4-(5,7,7-triphenylcyclobuta[a]inden-2-yl)phenyl]fluorene;ethane is sourced from PubChem (CID 144938868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).