9-phenyl-10-[2,3,5,6-tetradeuterio-4-(9,9-diphenylfluoren-2-yl)phenyl]anthracene

C51H34 — CID 164737939

IUPAC9-phenyl-10-[2,3,5,6-tetradeuterio-4-(9,9-diphenylfluoren-2-yl)phenyl]anthracene
SMILES[2H]c1c([2H])c(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c([2H])c([2H])c1-c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C51H34/c1-4-16-36(17-5-1)49-43-23-10-12-25-45(43)50(46-26-13-11-24-44(46)49)37-30-28-35(29-31-37)38-32-33-42-41-22-14-15-27-47(41)51(48(42)34-38,39-18-6-2-7-19-39)40-20-8-3-9-21-40/h1-34H/i28D,29D,30D,31D
InChIKeyWFDDCAWXVYSTLG-QYFQVZQBSA-N
MW650.86 g/mol
LogP13.36
Rot. Bonds5

About 9-phenyl-10-[2,3,5,6-tetradeuterio-4-(9,9-diphenylfluoren-2-yl)phenyl]anthracene

9-phenyl-10-[2,3,5,6-tetradeuterio-4-(9,9-diphenylfluoren-2-yl)phenyl]anthracene (PubChem CID 164737939) has the molecular formula C51H34 and a molecular weight of 650.86 g/mol. Its IUPAC name is 9-phenyl-10-[2,3,5,6-tetradeuterio-4-(9,9-diphenylfluoren-2-yl)phenyl]anthracene.

Molecular Properties

Compound Name9-phenyl-10-[2,3,5,6-tetradeuterio-4-(9,9-diphenylfluoren-2-yl)phenyl]anthracene
PubChem CID164737939
Molecular FormulaC51H34
Molecular Weight650.86 g/mol
Exact Mass650.29
IUPAC Name9-phenyl-10-[2,3,5,6-tetradeuterio-4-(9,9-diphenylfluoren-2-yl)phenyl]anthracene
SMILES[2H]c1c([2H])c(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c([2H])c([2H])c1-c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C51H34/c1-4-16-36(17-5-1)49-43-23-10-12-25-45(43)50(46-26-13-11-24-44(46)49)37-30-28-35(29-31-37)38-32-33-42-41-22-14-15-27-47(41)51(48(42)34-38,39-18-6-2-7-19-39)40-20-8-3-9-21-40/h1-34H/i28D,29D,30D,31D
InChIKeyWFDDCAWXVYSTLG-QYFQVZQBSA-N
XLogP13.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.86
LogP ≤ 513.36
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-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene
CID 140792270
1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-10-[2,3,5,6-tetradeuterio-4-(9,9-diphenylfluoren-2-yl)phenyl]anthracene
CID 164737911
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(9,9-diphenylfluoren-2-yl)phenyl]-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene
CID 164737881
2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873
2-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene
CID 164783545
2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174877
9-[4-[9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]phenyl]-1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracene
CID 164737933
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
3,6-bis[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306581
(9,9-diphenylfluoren-2-yl)-dimethyl-[4-(10-phenylanthracen-9-yl)phenyl]silane
CID 123170275
9-[4-[4-[9-[4-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene;9-[9,9-bis(4-anthracen-9-ylphenyl)-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-10-phenylanthracene;methane
CID 159419556
3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole
CID 59306967

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-10-[2,3,5,6-tetradeuterio-4-(9,9-diphenylfluoren-2-yl)phenyl]anthracene?
The IUPAC name of 9-phenyl-10-[2,3,5,6-tetradeuterio-4-(9,9-diphenylfluoren-2-yl)phenyl]anthracene (CID 164737939) is 9-phenyl-10-[2,3,5,6-tetradeuterio-4-(9,9-diphenylfluoren-2-yl)phenyl]anthracene.
What is the SMILES notation for 9-phenyl-10-[2,3,5,6-tetradeuterio-4-(9,9-diphenylfluoren-2-yl)phenyl]anthracene?
The canonical SMILES for 9-phenyl-10-[2,3,5,6-tetradeuterio-4-(9,9-diphenylfluoren-2-yl)phenyl]anthracene is [2H]c1c([2H])c(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c([2H])c([2H])c1-c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.
What is the InChIKey of 9-phenyl-10-[2,3,5,6-tetradeuterio-4-(9,9-diphenylfluoren-2-yl)phenyl]anthracene?
The InChIKey is WFDDCAWXVYSTLG-QYFQVZQBSA-N. The full InChI is InChI=1S/C51H34/c1-4-16-36(17-5-1)49-43-23-10-12-25-45(43)50(46-26-13-11-24-44(46)49)37-30-28-35(29-31-37)38-32-33-42-41-22-14-15-27-47(41)51(48(42)34-38,39-18-6-2-7-19-39)40-20-8-3-9-21-40/h1-34H/i28D,29D,30D,31D.
What are the key properties of 9-phenyl-10-[2,3,5,6-tetradeuterio-4-(9,9-diphenylfluoren-2-yl)phenyl]anthracene?
9-phenyl-10-[2,3,5,6-tetradeuterio-4-(9,9-diphenylfluoren-2-yl)phenyl]anthracene has a molecular weight of 650.86 g/mol, XLogP of 13.36, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-10-[2,3,5,6-tetradeuterio-4-(9,9-diphenylfluoren-2-yl)phenyl]anthracene is sourced from PubChem (CID 164737939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).