9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene

C66H52 — CID 153447199

IUPAC9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
SMILESCC1(C)c2cc(-c3cc4c(c5ccccc35)-c3ccccc3C4(C)C)ccc2-c2cc3c(cc21)C(C)(C)c1cc(-c2cc4c(c5ccccc25)-c2ccccc2C4(C)C)c2ccccc2c1-3
InChIInChI=1S/C66H52/c1-63(2)52-27-17-15-25-45(52)60-42-22-12-9-19-38(42)47(33-57(60)63)37-29-30-41-50-32-51-56(36-55(50)65(5,6)54(41)31-37)66(7,8)59-35-49(40-21-11-14-24-44(40)62(51)59)48-34-58-61(43-23-13-10-20-39(43)48)46-26-16-18-28-53(46)64(58,3)4/h9-36H,1-8H3
InChIKeyAXAPYDXFTMQFKL-UHFFFAOYSA-N
MW845.14 g/mol
LogP17.71
Rot. Bonds2

About 9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene

9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene (PubChem CID 153447199) has the molecular formula C66H52 and a molecular weight of 845.14 g/mol. Its IUPAC name is 9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene.

Molecular Properties

Compound Name9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
PubChem CID153447199
Molecular FormulaC66H52
Molecular Weight845.14 g/mol
Exact Mass844.41
IUPAC Name9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
SMILESCC1(C)c2cc(-c3cc4c(c5ccccc35)-c3ccccc3C4(C)C)ccc2-c2cc3c(cc21)C(C)(C)c1cc(-c2cc4c(c5ccccc25)-c2ccccc2C4(C)C)c2ccccc2c1-3
InChIInChI=1S/C66H52/c1-63(2)52-27-17-15-25-45(52)60-42-22-12-9-19-38(42)47(33-57(60)63)37-29-30-41-50-32-51-56(36-55(50)65(5,6)54(41)31-37)66(7,8)59-35-49(40-21-11-14-24-44(40)62(51)59)48-34-58-61(43-23-13-10-20-39(43)48)46-26-16-18-28-53(46)64(58,3)4/h9-36H,1-8H3
InChIKeyAXAPYDXFTMQFKL-UHFFFAOYSA-N
XLogP17.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.14
LogP ≤ 517.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene with MolForge

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Related Compounds

9-(9,9-dimethylfluoren-2-yl)-15-[4-[15-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58479671
5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 91114293
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-12,12-dimethyl-15-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58151610
9-(9,9-dimethylfluoren-2-yl)-15-[4-(12,12-dimethyl-15-naphthalen-1-yl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)phenyl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58479669
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
N,N-bis[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine
CID 155323844
9-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-15-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58151602
9-[7-(12,12-dimethyl-15-phenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-9,9-dimethylfluoren-2-yl]-12,12-dimethyl-15-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58479637
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
8,30-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]phenyl]-5,5,33,33-tetramethyl-19,19-dioctylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
CID 156624104
2,5-bis(12,12,22,22-tetramethyl-9-phenyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)thiophene
CID 134271458
9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-10-(4-methylphenyl)anthracene
CID 142701707

Frequently Asked Questions

What is the IUPAC name of 9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene?
The IUPAC name of 9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene (CID 153447199) is 9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene.
What is the SMILES notation for 9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene?
The canonical SMILES for 9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene is CC1(C)c2cc(-c3cc4c(c5ccccc35)-c3ccccc3C4(C)C)ccc2-c2cc3c(cc21)C(C)(C)c1cc(-c2cc4c(c5ccccc25)-c2ccccc2C4(C)C)c2ccccc2c1-3.
What is the InChIKey of 9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene?
The InChIKey is AXAPYDXFTMQFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H52/c1-63(2)52-27-17-15-25-45(52)60-42-22-12-9-19-38(42)47(33-57(60)63)37-29-30-41-50-32-51-56(36-55(50)65(5,6)54(41)31-37)66(7,8)59-35-49(40-21-11-14-24-44(40)62(51)59)48-34-58-61(43-23-13-10-20-39(43)48)46-26-16-18-28-53(46)64(58,3)4/h9-36H,1-8H3.
What are the key properties of 9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene?
9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene has a molecular weight of 845.14 g/mol, XLogP of 17.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene is sourced from PubChem (CID 153447199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).