9,9-dimethyl-6-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)-2-phenylfluorene

C63H44 — CID 123205790

IUPAC9,9-dimethyl-6-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)-2-phenylfluorene
SMILESCC1(C)c2ccc(C3=C4C(=C(c5ccccc5)c5cc(-c6ccccc6)c(-c6ccccc6)cc54)C(c4ccccc4)=C3c3ccccc3)cc2-c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C63H44/c1-63(2)55-36-34-48(37-52(55)49-35-33-47(38-56(49)63)41-21-9-3-10-22-41)60-58(45-29-17-7-18-30-45)59(46-31-19-8-20-32-46)62-57(44-27-15-6-16-28-44)53-39-50(42-23-11-4-12-24-42)51(40-54(53)61(60)62)43-25-13-5-14-26-43/h3-40H,1-2H3
InChIKeyRCGQLTAKUHSZLA-UHFFFAOYSA-N
MW801.05 g/mol
LogP16.34
Rot. Bonds7

About 9,9-dimethyl-6-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)-2-phenylfluorene

9,9-dimethyl-6-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)-2-phenylfluorene (PubChem CID 123205790) has the molecular formula C63H44 and a molecular weight of 801.05 g/mol. Its IUPAC name is 9,9-dimethyl-6-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)-2-phenylfluorene.

Molecular Properties

Compound Name9,9-dimethyl-6-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)-2-phenylfluorene
PubChem CID123205790
Molecular FormulaC63H44
Molecular Weight801.05 g/mol
Exact Mass800.34
IUPAC Name9,9-dimethyl-6-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)-2-phenylfluorene
SMILESCC1(C)c2ccc(C3=C4C(=C(c5ccccc5)c5cc(-c6ccccc6)c(-c6ccccc6)cc54)C(c4ccccc4)=C3c3ccccc3)cc2-c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C63H44/c1-63(2)55-36-34-48(37-52(55)49-35-33-47(38-56(49)63)41-21-9-3-10-22-41)60-58(45-29-17-7-18-30-45)59(46-31-19-8-20-32-46)62-57(44-27-15-6-16-28-44)53-39-50(42-23-11-4-12-24-42)51(40-54(53)61(60)62)43-25-13-5-14-26-43/h3-40H,1-2H3
InChIKeyRCGQLTAKUHSZLA-UHFFFAOYSA-N
XLogP16.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.05
LogP ≤ 516.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylindeno[2,1-a]indene
CID 123805916
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-(2,5-diphenylphenyl)-9,9-dimethylfluorene
CID 58881189
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114
1,6-bis(9,9-dimethylfluoren-3-yl)-3,8-bis[4-(4-phenylphenyl)phenyl]pyrene
CID 156675142
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]-9,9-dimethylfluorene
CID 58881198
N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424
2-[7-[7-[9,9-dimethyl-2-(4-phenylphenyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrimidine
CID 58880891
bis(2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine);2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161026217
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 158233216
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 158242505

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-6-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)-2-phenylfluorene?
The IUPAC name of 9,9-dimethyl-6-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)-2-phenylfluorene (CID 123205790) is 9,9-dimethyl-6-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)-2-phenylfluorene.
What is the SMILES notation for 9,9-dimethyl-6-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)-2-phenylfluorene?
The canonical SMILES for 9,9-dimethyl-6-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)-2-phenylfluorene is CC1(C)c2ccc(C3=C4C(=C(c5ccccc5)c5cc(-c6ccccc6)c(-c6ccccc6)cc54)C(c4ccccc4)=C3c3ccccc3)cc2-c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 9,9-dimethyl-6-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)-2-phenylfluorene?
The InChIKey is RCGQLTAKUHSZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44/c1-63(2)55-36-34-48(37-52(55)49-35-33-47(38-56(49)63)41-21-9-3-10-22-41)60-58(45-29-17-7-18-30-45)59(46-31-19-8-20-32-46)62-57(44-27-15-6-16-28-44)53-39-50(42-23-11-4-12-24-42)51(40-54(53)61(60)62)43-25-13-5-14-26-43/h3-40H,1-2H3.
What are the key properties of 9,9-dimethyl-6-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)-2-phenylfluorene?
9,9-dimethyl-6-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)-2-phenylfluorene has a molecular weight of 801.05 g/mol, XLogP of 16.34, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-6-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)-2-phenylfluorene is sourced from PubChem (CID 123205790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).