4'-[(11,11,12-trimethylindeno[2,1-a]fluoren-12-yl)methyl]-9,9'-spirobi[fluorene]

C49H36 — CID 142373827

IUPAC4'-[(11,11,12-trimethylindeno[2,1-a]fluoren-12-yl)methyl]-9,9'-spirobi[fluorene]
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)C(C)(Cc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21)c1ccccc1-3
InChIInChI=1S/C49H36/c1-47(2)38-21-9-4-18-33(38)35-27-28-36-34-19-5-10-22-39(34)48(3,46(36)45(35)47)29-30-15-14-26-43-44(30)37-20-8-13-25-42(37)49(43)40-23-11-6-16-31(40)32-17-7-12-24-41(32)49/h4-28H,29H2,1-3H3
InChIKeyBEUYCTSHOIXWTN-UHFFFAOYSA-N
MW624.83 g/mol
LogP11.87
Rot. Bonds2

About 4'-[(11,11,12-trimethylindeno[2,1-a]fluoren-12-yl)methyl]-9,9'-spirobi[fluorene]

4'-[(11,11,12-trimethylindeno[2,1-a]fluoren-12-yl)methyl]-9,9'-spirobi[fluorene] (PubChem CID 142373827) has the molecular formula C49H36 and a molecular weight of 624.83 g/mol. Its IUPAC name is 4'-[(11,11,12-trimethylindeno[2,1-a]fluoren-12-yl)methyl]-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name4'-[(11,11,12-trimethylindeno[2,1-a]fluoren-12-yl)methyl]-9,9'-spirobi[fluorene]
PubChem CID142373827
Molecular FormulaC49H36
Molecular Weight624.83 g/mol
Exact Mass624.28
IUPAC Name4'-[(11,11,12-trimethylindeno[2,1-a]fluoren-12-yl)methyl]-9,9'-spirobi[fluorene]
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)C(C)(Cc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21)c1ccccc1-3
InChIInChI=1S/C49H36/c1-47(2)38-21-9-4-18-33(38)35-27-28-36-34-19-5-10-22-39(34)48(3,46(36)45(35)47)29-30-15-14-26-43-44(30)37-20-8-13-25-42(37)49(43)40-23-11-6-16-31(40)32-17-7-12-24-41(32)49/h4-28H,29H2,1-3H3
InChIKeyBEUYCTSHOIXWTN-UHFFFAOYSA-N
XLogP11.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.83
LogP ≤ 511.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4'-[(11,11,12-trimethylindeno[2,1-a]fluoren-12-yl)methyl]-9,9'-spirobi[fluorene] with MolForge

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Related Compounds

CID 102532137
CID 102532137
2-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-1-amine
CID 175695461
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 170216886
4',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504465
4-[(3,9-dimethylfluoren-9-yl)methyl]-2,9,9-trimethylfluorene
CID 123787852
1-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9-dimethylfluorene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene];4-tert-butyl-9,9'-spirobi[fluorene]
CID 165098944
4'-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]
CID 147357174
N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 90294631
11,11-dimethylbenzo[a]fluorene;ethane
CID 144938734
7-chloro-1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluorene
CID 171439038
5,5,19,19-tetramethyl-2,16-diphenylheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaene
CID 58142415

Frequently Asked Questions

What is the IUPAC name of 4'-[(11,11,12-trimethylindeno[2,1-a]fluoren-12-yl)methyl]-9,9'-spirobi[fluorene]?
The IUPAC name of 4'-[(11,11,12-trimethylindeno[2,1-a]fluoren-12-yl)methyl]-9,9'-spirobi[fluorene] (CID 142373827) is 4'-[(11,11,12-trimethylindeno[2,1-a]fluoren-12-yl)methyl]-9,9'-spirobi[fluorene].
What is the SMILES notation for 4'-[(11,11,12-trimethylindeno[2,1-a]fluoren-12-yl)methyl]-9,9'-spirobi[fluorene]?
The canonical SMILES for 4'-[(11,11,12-trimethylindeno[2,1-a]fluoren-12-yl)methyl]-9,9'-spirobi[fluorene] is CC1(C)c2ccccc2-c2ccc3c(c21)C(C)(Cc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21)c1ccccc1-3.
What is the InChIKey of 4'-[(11,11,12-trimethylindeno[2,1-a]fluoren-12-yl)methyl]-9,9'-spirobi[fluorene]?
The InChIKey is BEUYCTSHOIXWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36/c1-47(2)38-21-9-4-18-33(38)35-27-28-36-34-19-5-10-22-39(34)48(3,46(36)45(35)47)29-30-15-14-26-43-44(30)37-20-8-13-25-42(37)49(43)40-23-11-6-16-31(40)32-17-7-12-24-41(32)49/h4-28H,29H2,1-3H3.
What are the key properties of 4'-[(11,11,12-trimethylindeno[2,1-a]fluoren-12-yl)methyl]-9,9'-spirobi[fluorene]?
4'-[(11,11,12-trimethylindeno[2,1-a]fluoren-12-yl)methyl]-9,9'-spirobi[fluorene] has a molecular weight of 624.83 g/mol, XLogP of 11.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-[(11,11,12-trimethylindeno[2,1-a]fluoren-12-yl)methyl]-9,9'-spirobi[fluorene] is sourced from PubChem (CID 142373827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).