12,22-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-15,15,19,19-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene

C68H52O — CID 146228023

IUPAC12,22-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-15,15,19,19-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene
SMILESCC1(C)c2cc(-c3cc4c(c5ccccc35)C(C)(C)c3ccccc3-4)ccc2-c2cc3c(cc21)C(C)(C)c1cc(-c2cc4c(c5ccccc25)C(C)(C)c2ccccc2-4)c2c(oc4ccccc42)c1-3
InChIInChI=1S/C68H52O/c1-65(2)55-31-37(46-32-50-40-21-13-16-26-53(40)67(5,6)62(50)43-23-11-9-19-38(43)46)29-30-42(55)48-34-52-57(36-56(48)65)66(3,4)58-35-49(60-45-25-15-18-28-59(45)69-64(60)61(52)58)47-33-51-41-22-14-17-27-54(41)68(7,8)63(51)44-24-12-10-20-39(44)47/h9-36H,1-8H3
InChIKeyCKQGUBQLDZTSDU-UHFFFAOYSA-N
MW885.16 g/mol
LogP18.45
Rot. Bonds2

About 12,22-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-15,15,19,19-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene

12,22-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-15,15,19,19-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene (PubChem CID 146228023) has the molecular formula C68H52O and a molecular weight of 885.16 g/mol. Its IUPAC name is 12,22-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-15,15,19,19-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene.

Molecular Properties

Compound Name12,22-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-15,15,19,19-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene
PubChem CID146228023
Molecular FormulaC68H52O
Molecular Weight885.16 g/mol
Exact Mass884.40
IUPAC Name12,22-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-15,15,19,19-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene
SMILESCC1(C)c2cc(-c3cc4c(c5ccccc35)C(C)(C)c3ccccc3-4)ccc2-c2cc3c(cc21)C(C)(C)c1cc(-c2cc4c(c5ccccc25)C(C)(C)c2ccccc2-4)c2c(oc4ccccc42)c1-3
InChIInChI=1S/C68H52O/c1-65(2)55-31-37(46-32-50-40-21-13-16-26-53(40)67(5,6)62(50)43-23-11-9-19-38(43)46)29-30-42(55)48-34-52-57(36-56(48)65)66(3,4)58-35-49(60-45-25-15-18-28-59(45)69-64(60)61(52)58)47-33-51-41-22-14-17-27-54(41)68(7,8)63(51)44-24-12-10-20-39(44)47/h9-36H,1-8H3
InChIKeyCKQGUBQLDZTSDU-UHFFFAOYSA-N
XLogP18.45
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.16
LogP ≤ 518.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 12,22-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-15,15,19,19-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12,22-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-15,15,19,19-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene?
The IUPAC name of 12,22-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-15,15,19,19-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene (CID 146228023) is 12,22-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-15,15,19,19-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene.
What is the SMILES notation for 12,22-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-15,15,19,19-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene?
The canonical SMILES for 12,22-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-15,15,19,19-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene is CC1(C)c2cc(-c3cc4c(c5ccccc35)C(C)(C)c3ccccc3-4)ccc2-c2cc3c(cc21)C(C)(C)c1cc(-c2cc4c(c5ccccc25)C(C)(C)c2ccccc2-4)c2c(oc4ccccc42)c1-3.
What is the InChIKey of 12,22-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-15,15,19,19-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene?
The InChIKey is CKQGUBQLDZTSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H52O/c1-65(2)55-31-37(46-32-50-40-21-13-16-26-53(40)67(5,6)62(50)43-23-11-9-19-38(43)46)29-30-42(55)48-34-52-57(36-56(48)65)66(3,4)58-35-49(60-45-25-15-18-28-59(45)69-64(60)61(52)58)47-33-51-41-22-14-17-27-54(41)68(7,8)63(51)44-24-12-10-20-39(44)47/h9-36H,1-8H3.
What are the key properties of 12,22-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-15,15,19,19-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene?
12,22-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-15,15,19,19-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene has a molecular weight of 885.16 g/mol, XLogP of 18.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12,22-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-15,15,19,19-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene is sourced from PubChem (CID 146228023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).