9-(7-chloro-9,9-difluorofluoren-2-yl)-10-phenylanthracene

C33H19ClF2 — CID 134271937

IUPAC9-(7-chloro-9,9-difluorofluoren-2-yl)-10-phenylanthracene
SMILESFC1(F)c2cc(Cl)ccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21
InChIInChI=1S/C33H19ClF2/c34-22-15-17-24-23-16-14-21(18-29(23)33(35,36)30(24)19-22)32-27-12-6-4-10-25(27)31(20-8-2-1-3-9-20)26-11-5-7-13-28(26)32/h1-19H
InChIKeyLVNOFHOWHINHII-UHFFFAOYSA-N
MW488.96 g/mol
LogP10.10
Rot. Bonds2

About 9-(7-chloro-9,9-difluorofluoren-2-yl)-10-phenylanthracene

9-(7-chloro-9,9-difluorofluoren-2-yl)-10-phenylanthracene (PubChem CID 134271937) has the molecular formula C33H19ClF2 and a molecular weight of 488.96 g/mol. Its IUPAC name is 9-(7-chloro-9,9-difluorofluoren-2-yl)-10-phenylanthracene.

Molecular Properties

Compound Name9-(7-chloro-9,9-difluorofluoren-2-yl)-10-phenylanthracene
PubChem CID134271937
Molecular FormulaC33H19ClF2
Molecular Weight488.96 g/mol
Exact Mass488.11
IUPAC Name9-(7-chloro-9,9-difluorofluoren-2-yl)-10-phenylanthracene
SMILESFC1(F)c2cc(Cl)ccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21
InChIInChI=1S/C33H19ClF2/c34-22-15-17-24-23-16-14-21(18-29(23)33(35,36)30(24)19-22)32-27-12-6-4-10-25(27)31(20-8-2-1-3-9-20)26-11-5-7-13-28(26)32/h1-19H
InChIKeyLVNOFHOWHINHII-UHFFFAOYSA-N
XLogP10.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.96
LogP ≤ 510.10
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
2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174877
9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-10-phenylanthracene
CID 20822281
9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene
CID 164706372
9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene
CID 58174880
2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873
9-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene
CID 140792270
2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]
CID 167178487
9,9-difluoro-2-(4-phenylphenyl)fluorene
CID 162564484
N,N-bis(4-chlorophenyl)-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]aniline
CID 168837214
9-(4-fluorophenyl)-10-[7-[10-(4-fluorophenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20821966
9-(9,9-dimethylfluoren-2-yl)-10-(2-phenylphenyl)anthracene
CID 20822373

Frequently Asked Questions

What is the IUPAC name of 9-(7-chloro-9,9-difluorofluoren-2-yl)-10-phenylanthracene?
The IUPAC name of 9-(7-chloro-9,9-difluorofluoren-2-yl)-10-phenylanthracene (CID 134271937) is 9-(7-chloro-9,9-difluorofluoren-2-yl)-10-phenylanthracene.
What is the SMILES notation for 9-(7-chloro-9,9-difluorofluoren-2-yl)-10-phenylanthracene?
The canonical SMILES for 9-(7-chloro-9,9-difluorofluoren-2-yl)-10-phenylanthracene is FC1(F)c2cc(Cl)ccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.
What is the InChIKey of 9-(7-chloro-9,9-difluorofluoren-2-yl)-10-phenylanthracene?
The InChIKey is LVNOFHOWHINHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H19ClF2/c34-22-15-17-24-23-16-14-21(18-29(23)33(35,36)30(24)19-22)32-27-12-6-4-10-25(27)31(20-8-2-1-3-9-20)26-11-5-7-13-28(26)32/h1-19H.
What are the key properties of 9-(7-chloro-9,9-difluorofluoren-2-yl)-10-phenylanthracene?
9-(7-chloro-9,9-difluorofluoren-2-yl)-10-phenylanthracene has a molecular weight of 488.96 g/mol, XLogP of 10.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7-chloro-9,9-difluorofluoren-2-yl)-10-phenylanthracene is sourced from PubChem (CID 134271937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).