2-[4-(3,5-dichlorophenyl)phenyl]spiro[fluorene-9,9'-xanthene]

C37H22Cl2O — CID 164783629

IUPAC2-[4-(3,5-dichlorophenyl)phenyl]spiro[fluorene-9,9'-xanthene]
SMILESClc1cc(Cl)cc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc2)c1
InChIInChI=1S/C37H22Cl2O/c38-27-19-26(20-28(39)22-27)24-15-13-23(14-16-24)25-17-18-30-29-7-1-2-8-31(29)37(34(30)21-25)32-9-3-5-11-35(32)40-36-12-6-4-10-33(36)37/h1-22H
InChIKeySHGLBSWIZZCUKI-UHFFFAOYSA-N
MW553.49 g/mol
LogP10.80
Rot. Bonds2

About 2-[4-(3,5-dichlorophenyl)phenyl]spiro[fluorene-9,9'-xanthene]

2-[4-(3,5-dichlorophenyl)phenyl]spiro[fluorene-9,9'-xanthene] (PubChem CID 164783629) has the molecular formula C37H22Cl2O and a molecular weight of 553.49 g/mol. Its IUPAC name is 2-[4-(3,5-dichlorophenyl)phenyl]spiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name2-[4-(3,5-dichlorophenyl)phenyl]spiro[fluorene-9,9'-xanthene]
PubChem CID164783629
Molecular FormulaC37H22Cl2O
Molecular Weight553.49 g/mol
Exact Mass552.10
IUPAC Name2-[4-(3,5-dichlorophenyl)phenyl]spiro[fluorene-9,9'-xanthene]
SMILESClc1cc(Cl)cc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc2)c1
InChIInChI=1S/C37H22Cl2O/c38-27-19-26(20-28(39)22-27)24-15-13-23(14-16-24)25-17-18-30-29-7-1-2-8-31(29)37(34(30)21-25)32-9-3-5-11-35(32)40-36-12-6-4-10-33(36)37/h1-22H
InChIKeySHGLBSWIZZCUKI-UHFFFAOYSA-N
XLogP10.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.49
LogP ≤ 510.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2'-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 170018367
2'-chloro-7'-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]
CID 155235359
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
CID 170017165
2-(4-chlorophenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130264027
4-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 138476305
2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170180907
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline
CID 167176728
4-(17-phenylspiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene-14,9'-xanthene]-11-yl)pyridine
CID 134571333
N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-2-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138477772
10,18-bis(9,9'-spirobi[fluorene]-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
CID 122629683
2,2'-bis(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]
CID 59096369
N-(9,9-diphenylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477449

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dichlorophenyl)phenyl]spiro[fluorene-9,9'-xanthene]?
The IUPAC name of 2-[4-(3,5-dichlorophenyl)phenyl]spiro[fluorene-9,9'-xanthene] (CID 164783629) is 2-[4-(3,5-dichlorophenyl)phenyl]spiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 2-[4-(3,5-dichlorophenyl)phenyl]spiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 2-[4-(3,5-dichlorophenyl)phenyl]spiro[fluorene-9,9'-xanthene] is Clc1cc(Cl)cc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc2)c1.
What is the InChIKey of 2-[4-(3,5-dichlorophenyl)phenyl]spiro[fluorene-9,9'-xanthene]?
The InChIKey is SHGLBSWIZZCUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22Cl2O/c38-27-19-26(20-28(39)22-27)24-15-13-23(14-16-24)25-17-18-30-29-7-1-2-8-31(29)37(34(30)21-25)32-9-3-5-11-35(32)40-36-12-6-4-10-33(36)37/h1-22H.
What are the key properties of 2-[4-(3,5-dichlorophenyl)phenyl]spiro[fluorene-9,9'-xanthene]?
2-[4-(3,5-dichlorophenyl)phenyl]spiro[fluorene-9,9'-xanthene] has a molecular weight of 553.49 g/mol, XLogP of 10.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dichlorophenyl)phenyl]spiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 164783629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).