9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2,6-difluoroanthracene

C64H42F2 — CID 89208399

IUPAC9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2,6-difluoroanthracene
SMILESFc1ccc2c(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cc(F)ccc3c(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)C3=C4C=CCC3)c2c1
InChIInChI=1S/C64H42F2/c65-47-32-36-54-55(39-47)61(41-29-33-51-49-25-13-15-27-57(49)63(59(51)37-41,43-17-5-1-6-18-43)44-19-7-2-8-20-44)53-35-31-48(66)40-56(53)62(54)42-30-34-52-50-26-14-16-28-58(50)64(60(52)38-42,45-21-9-3-10-22-45)46-23-11-4-12-24-46/h1-15,17-27,29-40H,16,28H2
InChIKeyZVJLAULMGFRDJB-UHFFFAOYSA-N
MW849.04 g/mol
LogP16.42
Rot. Bonds6

About 9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2,6-difluoroanthracene

9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2,6-difluoroanthracene (PubChem CID 89208399) has the molecular formula C64H42F2 and a molecular weight of 849.04 g/mol. Its IUPAC name is 9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2,6-difluoroanthracene.

Molecular Properties

Compound Name9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2,6-difluoroanthracene
PubChem CID89208399
Molecular FormulaC64H42F2
Molecular Weight849.04 g/mol
Exact Mass848.33
IUPAC Name9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2,6-difluoroanthracene
SMILESFc1ccc2c(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cc(F)ccc3c(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)C3=C4C=CCC3)c2c1
InChIInChI=1S/C64H42F2/c65-47-32-36-54-55(39-47)61(41-29-33-51-49-25-13-15-27-57(49)63(59(51)37-41,43-17-5-1-6-18-43)44-19-7-2-8-20-44)53-35-31-48(66)40-56(53)62(54)42-30-34-52-50-26-14-16-28-58(50)64(60(52)38-42,45-21-9-3-10-22-45)46-23-11-4-12-24-46/h1-15,17-27,29-40H,16,28H2
InChIKeyZVJLAULMGFRDJB-UHFFFAOYSA-N
XLogP16.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.04
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2-fluoroanthracene
CID 89208400
9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-9-(4-methylphenyl)fluorene
CID 145328119
9-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene
CID 140792270
9-[4-[3-[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]quinoxalin-2-yl]phenyl]-3-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-6-(9,9-diphenylfluoren-2-yl)carbazole
CID 88956505
7-phenyl-9-[3-(3-phenylphenyl)phenyl]-9-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-1,2-dihydrofluorene
CID 145189166
N,4-diphenyl-N-[4-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]phenyl]aniline
CID 70822820
2-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-5-pyridin-2-ylpyridine
CID 90361787
N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 166861507
2-naphtho[2,3-b][1]benzofuran-2-yl-5-(10-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-9-yl)pyridine
CID 134531269
4-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]benzo[a]anthracene
CID 156676922
9-phenyl-10-[2,3,5,6-tetradeuterio-4-(9,9-diphenylfluoren-2-yl)phenyl]anthracene
CID 164737939
2,6-diphenyl-4-(9-spiro[cyclohexane-1,9'-fluorene]-2'-yl-10-spiro[7,8-dihydrofluorene-9,1'-cyclohexane]-2-ylanthracen-2-yl)pyridine
CID 88589723

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2,6-difluoroanthracene?
The IUPAC name of 9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2,6-difluoroanthracene (CID 89208399) is 9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2,6-difluoroanthracene.
What is the SMILES notation for 9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2,6-difluoroanthracene?
The canonical SMILES for 9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2,6-difluoroanthracene is Fc1ccc2c(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cc(F)ccc3c(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)C3=C4C=CCC3)c2c1.
What is the InChIKey of 9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2,6-difluoroanthracene?
The InChIKey is ZVJLAULMGFRDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42F2/c65-47-32-36-54-55(39-47)61(41-29-33-51-49-25-13-15-27-57(49)63(59(51)37-41,43-17-5-1-6-18-43)44-19-7-2-8-20-44)53-35-31-48(66)40-56(53)62(54)42-30-34-52-50-26-14-16-28-58(50)64(60(52)38-42,45-21-9-3-10-22-45)46-23-11-4-12-24-46/h1-15,17-27,29-40H,16,28H2.
What are the key properties of 9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2,6-difluoroanthracene?
9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2,6-difluoroanthracene has a molecular weight of 849.04 g/mol, XLogP of 16.42, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2,6-difluoroanthracene is sourced from PubChem (CID 89208399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).