9-(4-fluorophenyl)-10-[7-[10-(4-fluorophenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene

C55H36F2 — CID 20821966

IUPAC9-(4-fluorophenyl)-10-[7-[10-(4-fluorophenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4ccc(F)cc4)c4ccccc34)ccc2-c2ccc(-c3c4ccccc4c(-c4ccc(F)cc4)c4ccccc34)cc21
InChIInChI=1S/C55H36F2/c1-55(2)49-31-35(53-45-15-7-3-11-41(45)51(33-19-25-37(56)26-20-33)42-12-4-8-16-46(42)53)23-29-39(49)40-30-24-36(32-50(40)55)54-47-17-9-5-13-43(47)52(34-21-27-38(57)28-22-34)44-14-6-10-18-48(44)54/h3-32H,1-2H3
InChIKeySMDMYDUQPQORCJ-UHFFFAOYSA-N
MW734.89 g/mol
LogP15.55
Rot. Bonds4

About 9-(4-fluorophenyl)-10-[7-[10-(4-fluorophenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene

9-(4-fluorophenyl)-10-[7-[10-(4-fluorophenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene (PubChem CID 20821966) has the molecular formula C55H36F2 and a molecular weight of 734.89 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-10-[7-[10-(4-fluorophenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene.

Molecular Properties

Compound Name9-(4-fluorophenyl)-10-[7-[10-(4-fluorophenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
PubChem CID20821966
Molecular FormulaC55H36F2
Molecular Weight734.89 g/mol
Exact Mass734.28
IUPAC Name9-(4-fluorophenyl)-10-[7-[10-(4-fluorophenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4ccc(F)cc4)c4ccccc34)ccc2-c2ccc(-c3c4ccccc4c(-c4ccc(F)cc4)c4ccccc34)cc21
InChIInChI=1S/C55H36F2/c1-55(2)49-31-35(53-45-15-7-3-11-41(45)51(33-19-25-37(56)26-20-33)42-12-4-8-16-46(42)53)23-29-39(49)40-30-24-36(32-50(40)55)54-47-17-9-5-13-43(47)52(34-21-27-38(57)28-22-34)44-14-6-10-18-48(44)54/h3-32H,1-2H3
InChIKeySMDMYDUQPQORCJ-UHFFFAOYSA-N
XLogP15.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.89
LogP ≤ 515.55
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-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
9-(9,9-dimethylfluoren-2-yl)-10-(3-fluorophenyl)anthracene
CID 20822374
9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene
CID 58174880
9-[9,9-dimethyl-7-[10-[10-(3-phenylphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-10-(3-phenylphenyl)anthracene
CID 20822310
9,9,21,21-tetramethyl-6,18-bis(10-phenylanthracen-9-yl)hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
CID 59182575
5-[10-(4-fluorophenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 88549809
4-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracen-9-yl]phenol
CID 154533323
9-[7-(7-anthracen-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracene
CID 58905940
9-(7-methoxy-9,9-dimethylfluoren-2-yl)-10-[7-[10-(7-methoxy-9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20822065
9-(4-ethoxyphenyl)-10-[7-[10-(4-ethoxyphenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20822178
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-10-phenylanthracene
CID 123170824
9-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene
CID 59725436

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)-10-[7-[10-(4-fluorophenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene?
The IUPAC name of 9-(4-fluorophenyl)-10-[7-[10-(4-fluorophenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene (CID 20821966) is 9-(4-fluorophenyl)-10-[7-[10-(4-fluorophenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene.
What is the SMILES notation for 9-(4-fluorophenyl)-10-[7-[10-(4-fluorophenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene?
The canonical SMILES for 9-(4-fluorophenyl)-10-[7-[10-(4-fluorophenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene is CC1(C)c2cc(-c3c4ccccc4c(-c4ccc(F)cc4)c4ccccc34)ccc2-c2ccc(-c3c4ccccc4c(-c4ccc(F)cc4)c4ccccc34)cc21.
What is the InChIKey of 9-(4-fluorophenyl)-10-[7-[10-(4-fluorophenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene?
The InChIKey is SMDMYDUQPQORCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36F2/c1-55(2)49-31-35(53-45-15-7-3-11-41(45)51(33-19-25-37(56)26-20-33)42-12-4-8-16-46(42)53)23-29-39(49)40-30-24-36(32-50(40)55)54-47-17-9-5-13-43(47)52(34-21-27-38(57)28-22-34)44-14-6-10-18-48(44)54/h3-32H,1-2H3.
What are the key properties of 9-(4-fluorophenyl)-10-[7-[10-(4-fluorophenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene?
9-(4-fluorophenyl)-10-[7-[10-(4-fluorophenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene has a molecular weight of 734.89 g/mol, XLogP of 15.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-10-[7-[10-(4-fluorophenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene is sourced from PubChem (CID 20821966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).