2-[2-[2-(9,9-dimethylfluoren-4-yl)ethyl]phenyl]-9,9'-spirobi[fluorene];1-methyldibenzofuran

C61H46O — CID 145360792

IUPAC2-[2-[2-(9,9-dimethylfluoren-4-yl)ethyl]phenyl]-9,9'-spirobi[fluorene];1-methyldibenzofuran
SMILESCC1(C)c2ccccc2-c2c(CCc3ccccc3-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cccc21.Cc1cccc2oc3ccccc3c12
InChIInChI=1S/C48H36.C13H10O/c1-47(2)40-21-9-8-20-39(40)46-32(15-13-25-44(46)47)27-26-31-14-3-4-16-34(31)33-28-29-38-37-19-7-12-24-43(37)48(45(38)30-33)41-22-10-5-17-35(41)36-18-6-11-23-42(36)48;1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12/h3-25,28-30H,26-27H2,1-2H3;2-8H,1H3
InChIKeyVRTNZCJAPCNLKT-UHFFFAOYSA-N
MW795.04 g/mol
LogP15.68
Rot. Bonds4

About 2-[2-[2-(9,9-dimethylfluoren-4-yl)ethyl]phenyl]-9,9'-spirobi[fluorene];1-methyldibenzofuran

2-[2-[2-(9,9-dimethylfluoren-4-yl)ethyl]phenyl]-9,9'-spirobi[fluorene];1-methyldibenzofuran (PubChem CID 145360792) has the molecular formula C61H46O and a molecular weight of 795.04 g/mol. Its IUPAC name is 2-[2-[2-(9,9-dimethylfluoren-4-yl)ethyl]phenyl]-9,9'-spirobi[fluorene];1-methyldibenzofuran.

Molecular Properties

Compound Name2-[2-[2-(9,9-dimethylfluoren-4-yl)ethyl]phenyl]-9,9'-spirobi[fluorene];1-methyldibenzofuran
PubChem CID145360792
Molecular FormulaC61H46O
Molecular Weight795.04 g/mol
Exact Mass794.35
IUPAC Name2-[2-[2-(9,9-dimethylfluoren-4-yl)ethyl]phenyl]-9,9'-spirobi[fluorene];1-methyldibenzofuran
SMILESCC1(C)c2ccccc2-c2c(CCc3ccccc3-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cccc21.Cc1cccc2oc3ccccc3c12
InChIInChI=1S/C48H36.C13H10O/c1-47(2)40-21-9-8-20-39(40)46-32(15-13-25-44(46)47)27-26-31-14-3-4-16-34(31)33-28-29-38-37-19-7-12-24-43(37)48(45(38)30-33)41-22-10-5-17-35(41)36-18-6-11-23-42(36)48;1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12/h3-25,28-30H,26-27H2,1-2H3;2-8H,1H3
InChIKeyVRTNZCJAPCNLKT-UHFFFAOYSA-N
XLogP15.68
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.04
LogP ≤ 515.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[2-[2-(9,9-dimethylfluoren-4-yl)ethyl]phenyl]-9,9'-spirobi[fluorene];1-methyldibenzofuran with MolForge

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Related Compounds

1-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran
CID 146397549
1-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 135131462
7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
CID 118145607
1-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]dibenzofuran
CID 59196193
1-[10-(9,9-dimethylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran
CID 167347240
N-[3-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene]-2-yl)-5-phenylphenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167118083
14,14-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-17-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 164755378
9,9-dimethyl-N-phenyl-N-(3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 167118024
1-methyl-8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran
CID 156734737
N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine
CID 135271088
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139568351
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine
CID 122504141

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(9,9-dimethylfluoren-4-yl)ethyl]phenyl]-9,9'-spirobi[fluorene];1-methyldibenzofuran?
The IUPAC name of 2-[2-[2-(9,9-dimethylfluoren-4-yl)ethyl]phenyl]-9,9'-spirobi[fluorene];1-methyldibenzofuran (CID 145360792) is 2-[2-[2-(9,9-dimethylfluoren-4-yl)ethyl]phenyl]-9,9'-spirobi[fluorene];1-methyldibenzofuran.
What is the SMILES notation for 2-[2-[2-(9,9-dimethylfluoren-4-yl)ethyl]phenyl]-9,9'-spirobi[fluorene];1-methyldibenzofuran?
The canonical SMILES for 2-[2-[2-(9,9-dimethylfluoren-4-yl)ethyl]phenyl]-9,9'-spirobi[fluorene];1-methyldibenzofuran is CC1(C)c2ccccc2-c2c(CCc3ccccc3-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cccc21.Cc1cccc2oc3ccccc3c12.
What is the InChIKey of 2-[2-[2-(9,9-dimethylfluoren-4-yl)ethyl]phenyl]-9,9'-spirobi[fluorene];1-methyldibenzofuran?
The InChIKey is VRTNZCJAPCNLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36.C13H10O/c1-47(2)40-21-9-8-20-39(40)46-32(15-13-25-44(46)47)27-26-31-14-3-4-16-34(31)33-28-29-38-37-19-7-12-24-43(37)48(45(38)30-33)41-22-10-5-17-35(41)36-18-6-11-23-42(36)48;1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12/h3-25,28-30H,26-27H2,1-2H3;2-8H,1H3.
What are the key properties of 2-[2-[2-(9,9-dimethylfluoren-4-yl)ethyl]phenyl]-9,9'-spirobi[fluorene];1-methyldibenzofuran?
2-[2-[2-(9,9-dimethylfluoren-4-yl)ethyl]phenyl]-9,9'-spirobi[fluorene];1-methyldibenzofuran has a molecular weight of 795.04 g/mol, XLogP of 15.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(9,9-dimethylfluoren-4-yl)ethyl]phenyl]-9,9'-spirobi[fluorene];1-methyldibenzofuran is sourced from PubChem (CID 145360792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).