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

C92H70O — CID 164755613

IUPAC14,14-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
SMILESCc1cccc2c1-c1c(ccc3oc4ccccc4c13)C2(c1cc(-c2cccc3c2-c2ccccc2C3(C)C)cc(-c2cccc3c2-c2ccccc2C3(C)C)c1)c1cc(-c2cccc3c2-c2ccccc2C3(C)C)cc(-c2cccc3c2-c2ccccc2C3(C)C)c1
InChIInChI=1S/C92H70O/c1-53-25-20-43-77-81(53)87-78(45-46-80-86(87)68-30-14-19-44-79(68)93-80)92(77,58-49-54(60-31-21-39-73-82(60)64-26-10-15-35-69(64)88(73,2)3)47-55(50-58)61-32-22-40-74-83(61)65-27-11-16-36-70(65)89(74,4)5)59-51-56(62-33-23-41-75-84(62)66-28-12-17-37-71(66)90(75,6)7)48-57(52-59)63-34-24-42-76-85(63)67-29-13-18-38-72(67)91(76,8)9/h10-52H,1-9H3
InChIKeyHUGGTXCXMYBNDX-UHFFFAOYSA-N
MW1191.57 g/mol
LogP24.15
Rot. Bonds6

About 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

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 (PubChem CID 164755613) has the molecular formula C92H70O and a molecular weight of 1191.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name14,14-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
PubChem CID164755613
Molecular FormulaC92H70O
Molecular Weight1191.57 g/mol
Exact Mass1190.54
IUPAC Name14,14-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
SMILESCc1cccc2c1-c1c(ccc3oc4ccccc4c13)C2(c1cc(-c2cccc3c2-c2ccccc2C3(C)C)cc(-c2cccc3c2-c2ccccc2C3(C)C)c1)c1cc(-c2cccc3c2-c2ccccc2C3(C)C)cc(-c2cccc3c2-c2ccccc2C3(C)C)c1
InChIInChI=1S/C92H70O/c1-53-25-20-43-77-81(53)87-78(45-46-80-86(87)68-30-14-19-44-79(68)93-80)92(77,58-49-54(60-31-21-39-73-82(60)64-26-10-15-35-69(64)88(73,2)3)47-55(50-58)61-32-22-40-74-83(61)65-27-11-16-36-70(65)89(74,4)5)59-51-56(62-33-23-41-75-84(62)66-28-12-17-37-71(66)90(75,6)7)48-57(52-59)63-34-24-42-76-85(63)67-29-13-18-38-72(67)91(76,8)9/h10-52H,1-9H3
InChIKeyHUGGTXCXMYBNDX-UHFFFAOYSA-N
XLogP24.15
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001191.57
LogP ≤ 524.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

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-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4-(2,4,6-trimethylphenyl)fluorene
CID 164755349
9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-methyl-5-phenylfluorene
CID 164755272
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
1-[1,2,3,4,5,6,7,8-octadeuterio-10-[3-(9,9-dimethylfluoren-4-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 153474759
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171585138
1-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran
CID 146397549
ethane;17,17,34,34-tetramethyl-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene
CID 142357713
14,14-dimethyl-5-(10-phenylanthracen-9-yl)-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 170374658
2-[3-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(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)-4,6-diphenyl-1,3,5-triazine
CID 160834708
1-[10-(9,9-dimethylfluoren-4-yl)-8-naphtho[2,1-b][1]benzofuran-1-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran
CID 155334387

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc2c1-c1c(ccc3oc4ccccc4c13)C2(c1cc(-c2cccc3c2-c2ccccc2C3(C)C)cc(-c2cccc3c2-c2ccccc2C3(C)C)c1)c1cc(-c2cccc3c2-c2ccccc2C3(C)C)cc(-c2cccc3c2-c2ccccc2C3(C)C)c1.
What is the InChIKey of 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?
The InChIKey is HUGGTXCXMYBNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H70O/c1-53-25-20-43-77-81(53)87-78(45-46-80-86(87)68-30-14-19-44-79(68)93-80)92(77,58-49-54(60-31-21-39-73-82(60)64-26-10-15-35-69(64)88(73,2)3)47-55(50-58)61-32-22-40-74-83(61)65-27-11-16-36-70(65)89(74,4)5)59-51-56(62-33-23-41-75-84(62)66-28-12-17-37-71(66)90(75,6)7)48-57(52-59)63-34-24-42-76-85(63)67-29-13-18-38-72(67)91(76,8)9/h10-52H,1-9H3.
What are the key properties of 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?
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 has a molecular weight of 1191.57 g/mol, XLogP of 24.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164755613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).