9,9-dimethyl-6-[1-[4-[4-[[2-(2-methyl-5-phenylphenyl)-3-phenylphenyl]methyl]naphthalen-1-yl]naphthalen-1-yl]-1-(4-phenylphenyl)ethyl]-2,3-dihydrofluorene

C75H60 — CID 164569270

IUPAC9,9-dimethyl-6-[1-[4-[4-[[2-(2-methyl-5-phenylphenyl)-3-phenylphenyl]methyl]naphthalen-1-yl]naphthalen-1-yl]-1-(4-phenylphenyl)ethyl]-2,3-dihydrofluorene
SMILESCc1ccc(-c2ccccc2)cc1-c1c(Cc2ccc(-c3ccc(C(C)(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C4=CCCC=C4C5(C)C)c4ccccc34)c3ccccc23)cccc1-c1ccccc1
InChIInChI=1S/C75H60/c1-50-35-36-55(52-23-10-6-11-24-52)48-68(50)73-57(27-20-33-61(73)54-25-12-7-13-26-54)47-56-39-43-64(62-29-15-14-28-60(56)62)65-44-46-72(66-31-17-16-30-63(65)66)75(4,58-40-37-53(38-41-58)51-21-8-5-9-22-51)59-42-45-71-69(49-59)67-32-18-19-34-70(67)74(71,2)3/h5-17,20-46,48-49H,18-19,47H2,1-4H3
InChIKeyOWNFHISQILFGSZ-UHFFFAOYSA-N
MW961.31 g/mol
LogP19.98
Rot. Bonds10

About 9,9-dimethyl-6-[1-[4-[4-[[2-(2-methyl-5-phenylphenyl)-3-phenylphenyl]methyl]naphthalen-1-yl]naphthalen-1-yl]-1-(4-phenylphenyl)ethyl]-2,3-dihydrofluorene

9,9-dimethyl-6-[1-[4-[4-[[2-(2-methyl-5-phenylphenyl)-3-phenylphenyl]methyl]naphthalen-1-yl]naphthalen-1-yl]-1-(4-phenylphenyl)ethyl]-2,3-dihydrofluorene (PubChem CID 164569270) has the molecular formula C75H60 and a molecular weight of 961.31 g/mol. Its IUPAC name is 9,9-dimethyl-6-[1-[4-[4-[[2-(2-methyl-5-phenylphenyl)-3-phenylphenyl]methyl]naphthalen-1-yl]naphthalen-1-yl]-1-(4-phenylphenyl)ethyl]-2,3-dihydrofluorene.

Molecular Properties

Compound Name9,9-dimethyl-6-[1-[4-[4-[[2-(2-methyl-5-phenylphenyl)-3-phenylphenyl]methyl]naphthalen-1-yl]naphthalen-1-yl]-1-(4-phenylphenyl)ethyl]-2,3-dihydrofluorene
PubChem CID164569270
Molecular FormulaC75H60
Molecular Weight961.31 g/mol
Exact Mass960.47
IUPAC Name9,9-dimethyl-6-[1-[4-[4-[[2-(2-methyl-5-phenylphenyl)-3-phenylphenyl]methyl]naphthalen-1-yl]naphthalen-1-yl]-1-(4-phenylphenyl)ethyl]-2,3-dihydrofluorene
SMILESCc1ccc(-c2ccccc2)cc1-c1c(Cc2ccc(-c3ccc(C(C)(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C4=CCCC=C4C5(C)C)c4ccccc34)c3ccccc23)cccc1-c1ccccc1
InChIInChI=1S/C75H60/c1-50-35-36-55(52-23-10-6-11-24-52)48-68(50)73-57(27-20-33-61(73)54-25-12-7-13-26-54)47-56-39-43-64(62-29-15-14-28-60(56)62)65-44-46-72(66-31-17-16-30-63(65)66)75(4,58-40-37-53(38-41-58)51-21-8-5-9-22-51)59-42-45-71-69(49-59)67-32-18-19-34-70(67)74(71,2)3/h5-17,20-46,48-49H,18-19,47H2,1-4H3
InChIKeyOWNFHISQILFGSZ-UHFFFAOYSA-N
XLogP19.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500961.31
LogP ≤ 519.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

9,9-dimethyl-N-[4-[4-[[2-(2-methyl-5-phenylphenyl)-3-phenylphenyl]methyl]naphthalen-1-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine
CID 168933165
9,9-dimethyl-6-phenyl-2,3-dihydrofluorene
CID 178165588
9,9-dimethyl-N-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine;1-methyl-2-(2-methyl-5-phenylphenyl)-3-phenylbenzene
CID 162723202
7,9,9-trimethyl-6-(2-methylphenyl)-2,3-dihydrofluorene
CID 145017109
N-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-9,9-dimethyl-N-[4-(2,2',7,7'-tetratert-butyl-9,9'-spirobi[fluorene]-4-yl)phenyl]fluoren-2-amine
CID 178110228
2,9,9-trimethyl-3-[(2-methyl-5-phenylphenyl)methyl]-5-phenylfluorene
CID 159961045
9,9-dimethyl-4-[9-methyl-2-(4-methylnaphthalen-1-yl)-7-phenylfluoren-9-yl]-1-(4-methylnaphthalen-1-yl)fluorene
CID 123888058
7-[4-(9,9-dimethyl-6,7-dihydrofluoren-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]-9,9-dimethyl-2,3-dihydrofluorene
CID 145093522
2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-phenylphenyl)phenyl]fluorene
CID 58986922
2,7-ditert-butyl-9,9-dimethyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluorene
CID 58986902
4-[1-(4-amino-3-phenylphenyl)-1-(4-phenylphenyl)ethyl]-2-phenylaniline
CID 146637405
N-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-phenylaniline
CID 176836108

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-6-[1-[4-[4-[[2-(2-methyl-5-phenylphenyl)-3-phenylphenyl]methyl]naphthalen-1-yl]naphthalen-1-yl]-1-(4-phenylphenyl)ethyl]-2,3-dihydrofluorene?
The IUPAC name of 9,9-dimethyl-6-[1-[4-[4-[[2-(2-methyl-5-phenylphenyl)-3-phenylphenyl]methyl]naphthalen-1-yl]naphthalen-1-yl]-1-(4-phenylphenyl)ethyl]-2,3-dihydrofluorene (CID 164569270) is 9,9-dimethyl-6-[1-[4-[4-[[2-(2-methyl-5-phenylphenyl)-3-phenylphenyl]methyl]naphthalen-1-yl]naphthalen-1-yl]-1-(4-phenylphenyl)ethyl]-2,3-dihydrofluorene.
What is the SMILES notation for 9,9-dimethyl-6-[1-[4-[4-[[2-(2-methyl-5-phenylphenyl)-3-phenylphenyl]methyl]naphthalen-1-yl]naphthalen-1-yl]-1-(4-phenylphenyl)ethyl]-2,3-dihydrofluorene?
The canonical SMILES for 9,9-dimethyl-6-[1-[4-[4-[[2-(2-methyl-5-phenylphenyl)-3-phenylphenyl]methyl]naphthalen-1-yl]naphthalen-1-yl]-1-(4-phenylphenyl)ethyl]-2,3-dihydrofluorene is Cc1ccc(-c2ccccc2)cc1-c1c(Cc2ccc(-c3ccc(C(C)(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C4=CCCC=C4C5(C)C)c4ccccc34)c3ccccc23)cccc1-c1ccccc1.
What is the InChIKey of 9,9-dimethyl-6-[1-[4-[4-[[2-(2-methyl-5-phenylphenyl)-3-phenylphenyl]methyl]naphthalen-1-yl]naphthalen-1-yl]-1-(4-phenylphenyl)ethyl]-2,3-dihydrofluorene?
The InChIKey is OWNFHISQILFGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H60/c1-50-35-36-55(52-23-10-6-11-24-52)48-68(50)73-57(27-20-33-61(73)54-25-12-7-13-26-54)47-56-39-43-64(62-29-15-14-28-60(56)62)65-44-46-72(66-31-17-16-30-63(65)66)75(4,58-40-37-53(38-41-58)51-21-8-5-9-22-51)59-42-45-71-69(49-59)67-32-18-19-34-70(67)74(71,2)3/h5-17,20-46,48-49H,18-19,47H2,1-4H3.
What are the key properties of 9,9-dimethyl-6-[1-[4-[4-[[2-(2-methyl-5-phenylphenyl)-3-phenylphenyl]methyl]naphthalen-1-yl]naphthalen-1-yl]-1-(4-phenylphenyl)ethyl]-2,3-dihydrofluorene?
9,9-dimethyl-6-[1-[4-[4-[[2-(2-methyl-5-phenylphenyl)-3-phenylphenyl]methyl]naphthalen-1-yl]naphthalen-1-yl]-1-(4-phenylphenyl)ethyl]-2,3-dihydrofluorene has a molecular weight of 961.31 g/mol, XLogP of 19.98, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-6-[1-[4-[4-[[2-(2-methyl-5-phenylphenyl)-3-phenylphenyl]methyl]naphthalen-1-yl]naphthalen-1-yl]-1-(4-phenylphenyl)ethyl]-2,3-dihydrofluorene is sourced from PubChem (CID 164569270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).