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

C67H48O — CID 164755378

IUPAC14,14-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
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(C4(c5cccc(-c6cccc7c6-c6ccccc6C7(C)C)c5)c5cc(-c6ccccc6)ccc5-c5c4ccc4oc6ccccc6c54)c3)cccc21
InChIInChI=1S/C67H48O/c1-65(2)53-29-11-8-24-49(53)61-47(27-16-31-55(61)65)43-20-14-22-45(38-43)67(46-23-15-21-44(39-46)48-28-17-32-56-62(48)50-25-9-12-30-54(50)66(56,3)4)57-36-37-60-64(52-26-10-13-33-59(52)68-60)63(57)51-35-34-42(40-58(51)67)41-18-6-5-7-19-41/h5-40H,1-4H3
InChIKeyKLWBLUOIUWXQJJ-UHFFFAOYSA-N
MW869.12 g/mol
LogP17.56
Rot. Bonds5

About 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

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 (PubChem CID 164755378) has the molecular formula C67H48O and a molecular weight of 869.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name14,14-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
PubChem CID164755378
Molecular FormulaC67H48O
Molecular Weight869.12 g/mol
Exact Mass868.37
IUPAC Name14,14-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
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(C4(c5cccc(-c6cccc7c6-c6ccccc6C7(C)C)c5)c5cc(-c6ccccc6)ccc5-c5c4ccc4oc6ccccc6c54)c3)cccc21
InChIInChI=1S/C67H48O/c1-65(2)53-29-11-8-24-49(53)61-47(27-16-31-55(61)65)43-20-14-22-45(38-43)67(46-23-15-21-44(39-46)48-28-17-32-56-62(48)50-25-9-12-30-54(50)66(56,3)4)57-36-37-60-64(52-26-10-13-33-59(52)68-60)63(57)51-35-34-42(40-58(51)67)41-18-6-5-7-19-41/h5-40H,1-4H3
InChIKeyKLWBLUOIUWXQJJ-UHFFFAOYSA-N
XLogP17.56
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.12
LogP ≤ 517.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

14,14-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-19-methyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 164755613
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
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
14,14-bis(3,5-dibromophenyl)-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 154647072
5-[10-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)anthracen-9-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6-[10-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)anthracen-9-yl]-14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 159108264
5-[10-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)anthracen-9-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 153314388
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-1-(5,9,9-triphenylfluoren-2-yl)dibenzofuran-4-amine
CID 155153867
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759880
4'-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 140873469
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-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
CID 134392874
7'-phenyl-N,N-bis(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 122504195

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2c(-c3cccc(C4(c5cccc(-c6cccc7c6-c6ccccc6C7(C)C)c5)c5cc(-c6ccccc6)ccc5-c5c4ccc4oc6ccccc6c54)c3)cccc21.
What is the InChIKey of 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?
The InChIKey is KLWBLUOIUWXQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H48O/c1-65(2)53-29-11-8-24-49(53)61-47(27-16-31-55(61)65)43-20-14-22-45(38-43)67(46-23-15-21-44(39-46)48-28-17-32-56-62(48)50-25-9-12-30-54(50)66(56,3)4)57-36-37-60-64(52-26-10-13-33-59(52)68-60)63(57)51-35-34-42(40-58(51)67)41-18-6-5-7-19-41/h5-40H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 869.12 g/mol, XLogP of 17.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164755378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).