5-[2-(9,9-dimethylfluoren-2-yl)-1-(4-phenylphenyl)ethyl]-8-[4-(9,9-diphenylfluoren-1-yl)-2-phenylphenyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene

C81H62 — CID 156726305

IUPAC5-[2-(9,9-dimethylfluoren-2-yl)-1-(4-phenylphenyl)ethyl]-8-[4-(9,9-diphenylfluoren-1-yl)-2-phenylphenyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
SMILESCC1(C)c2ccccc2-c2ccc(CC(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccc(-c5cccc6c5C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc3-c3ccccc3)CCc3ccccc3-4)cc21
InChIInChI=1S/C81H62/c1-80(2)76-36-19-17-32-69(76)71-46-38-54(51-78(71)80)50-73(59-41-39-56(40-42-59)55-22-7-3-8-23-55)61-45-48-66-64-31-16-15-26-58(64)43-47-68(75(66)53-61)67-49-44-60(52-74(67)57-24-9-4-10-25-57)65-34-21-35-72-70-33-18-20-37-77(70)81(79(65)72,62-27-11-5-12-28-62)63-29-13-6-14-30-63/h3-42,44-46,48-49,51-53,68,73H,43,47,50H2,1-2H3
InChIKeyKVCQVKRCVKLZOF-UHFFFAOYSA-N
MW1035.39 g/mol
LogP20.48
Rot. Bonds10

About 5-[2-(9,9-dimethylfluoren-2-yl)-1-(4-phenylphenyl)ethyl]-8-[4-(9,9-diphenylfluoren-1-yl)-2-phenylphenyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene

5-[2-(9,9-dimethylfluoren-2-yl)-1-(4-phenylphenyl)ethyl]-8-[4-(9,9-diphenylfluoren-1-yl)-2-phenylphenyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene (PubChem CID 156726305) has the molecular formula C81H62 and a molecular weight of 1035.39 g/mol. Its IUPAC name is 5-[2-(9,9-dimethylfluoren-2-yl)-1-(4-phenylphenyl)ethyl]-8-[4-(9,9-diphenylfluoren-1-yl)-2-phenylphenyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene.

Molecular Properties

Compound Name5-[2-(9,9-dimethylfluoren-2-yl)-1-(4-phenylphenyl)ethyl]-8-[4-(9,9-diphenylfluoren-1-yl)-2-phenylphenyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
PubChem CID156726305
Molecular FormulaC81H62
Molecular Weight1035.39 g/mol
Exact Mass1034.49
IUPAC Name5-[2-(9,9-dimethylfluoren-2-yl)-1-(4-phenylphenyl)ethyl]-8-[4-(9,9-diphenylfluoren-1-yl)-2-phenylphenyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
SMILESCC1(C)c2ccccc2-c2ccc(CC(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccc(-c5cccc6c5C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc3-c3ccccc3)CCc3ccccc3-4)cc21
InChIInChI=1S/C81H62/c1-80(2)76-36-19-17-32-69(76)71-46-38-54(51-78(71)80)50-73(59-41-39-56(40-42-59)55-22-7-3-8-23-55)61-45-48-66-64-31-16-15-26-58(64)43-47-68(75(66)53-61)67-49-44-60(52-74(67)57-24-9-4-10-25-57)65-34-21-35-72-70-33-18-20-37-77(70)81(79(65)72,62-27-11-5-12-28-62)63-29-13-6-14-30-63/h3-42,44-46,48-49,51-53,68,73H,43,47,50H2,1-2H3
InChIKeyKVCQVKRCVKLZOF-UHFFFAOYSA-N
XLogP20.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.39
LogP ≤ 520.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-[2-(9,9-dimethylfluoren-2-yl)-1-(4-phenylphenyl)ethyl]-8-[4-(9,9-diphenylfluoren-1-yl)-2-phenylphenyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene with MolForge

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Related Compounds

2-[2-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)ethyl]-9,9-bis(3-fluorophenyl)-6-(4-phenylphenyl)fluorene
CID 146644661
2-[2-(4-bromophenyl)-2-(4-phenylphenyl)ethyl]-9,9-diphenylfluorene
CID 144990236
4-[2-(9,9-dimethylfluoren-2-yl)-1-(4-phenylphenyl)ethyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]
CID 145291766
9,9-dimethyl-2-[1-(4-phenylphenyl)propyl]fluorene
CID 144810151
N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155153846
2-[[2-(9,9-diphenylfluoren-4-yl)phenyl]-(4-phenylphenyl)methyl]-9,9-dimethylfluorene
CID 155609383
1,3-ditert-butyl-5-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)butan-2-yl]-9,9-diphenylfluorene
CID 178110343
8-[1,2-bis(4-phenylphenyl)ethyl]-4-chloro-10,10,12,12-tetramethylindeno[2,1-b]fluorene
CID 138455800
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]fluoren-2-amine
CID 155280447
2'-[4-(9,9-dimethylfluoren-2-yl)-3-(2-methyl-4-phenylphenyl)butyl]-5'-phenyl-9,9'-spirobi[fluorene]
CID 142521242
2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene
CID 157190437
3-[4-[1,2-bis(4-phenylphenyl)ethyl]-9,9-diphenylfluoren-1-yl]-9-phenylcarbazole
CID 123808425

Frequently Asked Questions

What is the IUPAC name of 5-[2-(9,9-dimethylfluoren-2-yl)-1-(4-phenylphenyl)ethyl]-8-[4-(9,9-diphenylfluoren-1-yl)-2-phenylphenyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
The IUPAC name of 5-[2-(9,9-dimethylfluoren-2-yl)-1-(4-phenylphenyl)ethyl]-8-[4-(9,9-diphenylfluoren-1-yl)-2-phenylphenyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene (CID 156726305) is 5-[2-(9,9-dimethylfluoren-2-yl)-1-(4-phenylphenyl)ethyl]-8-[4-(9,9-diphenylfluoren-1-yl)-2-phenylphenyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene.
What is the SMILES notation for 5-[2-(9,9-dimethylfluoren-2-yl)-1-(4-phenylphenyl)ethyl]-8-[4-(9,9-diphenylfluoren-1-yl)-2-phenylphenyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
The canonical SMILES for 5-[2-(9,9-dimethylfluoren-2-yl)-1-(4-phenylphenyl)ethyl]-8-[4-(9,9-diphenylfluoren-1-yl)-2-phenylphenyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene is CC1(C)c2ccccc2-c2ccc(CC(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccc(-c5cccc6c5C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc3-c3ccccc3)CCc3ccccc3-4)cc21.
What is the InChIKey of 5-[2-(9,9-dimethylfluoren-2-yl)-1-(4-phenylphenyl)ethyl]-8-[4-(9,9-diphenylfluoren-1-yl)-2-phenylphenyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
The InChIKey is KVCQVKRCVKLZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H62/c1-80(2)76-36-19-17-32-69(76)71-46-38-54(51-78(71)80)50-73(59-41-39-56(40-42-59)55-22-7-3-8-23-55)61-45-48-66-64-31-16-15-26-58(64)43-47-68(75(66)53-61)67-49-44-60(52-74(67)57-24-9-4-10-25-57)65-34-21-35-72-70-33-18-20-37-77(70)81(79(65)72,62-27-11-5-12-28-62)63-29-13-6-14-30-63/h3-42,44-46,48-49,51-53,68,73H,43,47,50H2,1-2H3.
What are the key properties of 5-[2-(9,9-dimethylfluoren-2-yl)-1-(4-phenylphenyl)ethyl]-8-[4-(9,9-diphenylfluoren-1-yl)-2-phenylphenyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
5-[2-(9,9-dimethylfluoren-2-yl)-1-(4-phenylphenyl)ethyl]-8-[4-(9,9-diphenylfluoren-1-yl)-2-phenylphenyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene has a molecular weight of 1035.39 g/mol, XLogP of 20.48, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(9,9-dimethylfluoren-2-yl)-1-(4-phenylphenyl)ethyl]-8-[4-(9,9-diphenylfluoren-1-yl)-2-phenylphenyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene is sourced from PubChem (CID 156726305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).