2'-chloro-7'-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]

C37H23ClO — CID 155235359

IUPAC2'-chloro-7'-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]
SMILESClc1ccc2c(c1)C1(c3cc(-c4ccc(-c5ccccc5)cc4)ccc3O2)c2ccccc2-c2ccccc21
InChIInChI=1S/C37H23ClO/c38-28-19-21-36-34(23-28)37(31-12-6-4-10-29(31)30-11-5-7-13-32(30)37)33-22-27(18-20-35(33)39-36)26-16-14-25(15-17-26)24-8-2-1-3-9-24/h1-23H
InChIKeyYKMZBTZCSGZKKH-UHFFFAOYSA-N
MW519.04 g/mol
LogP10.14
Rot. Bonds2

About 2'-chloro-7'-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]

2'-chloro-7'-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene] (PubChem CID 155235359) has the molecular formula C37H23ClO and a molecular weight of 519.04 g/mol. Its IUPAC name is 2'-chloro-7'-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name2'-chloro-7'-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]
PubChem CID155235359
Molecular FormulaC37H23ClO
Molecular Weight519.04 g/mol
Exact Mass518.14
IUPAC Name2'-chloro-7'-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]
SMILESClc1ccc2c(c1)C1(c3cc(-c4ccc(-c5ccccc5)cc4)ccc3O2)c2ccccc2-c2ccccc21
InChIInChI=1S/C37H23ClO/c38-28-19-21-36-34(23-28)37(31-12-6-4-10-29(31)30-11-5-7-13-32(30)37)33-22-27(18-20-35(33)39-36)26-16-14-25(15-17-26)24-8-2-1-3-9-24/h1-23H
InChIKeyYKMZBTZCSGZKKH-UHFFFAOYSA-N
XLogP10.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.04
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2'-chloro-7'-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene] with MolForge

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Related Compounds

2',7'-diphenyl-9,9'-spirobi[xanthene]
CID 118698131
4-[7'-(4-hydroxyphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenol
CID 23369045
4-(7'-chlorospiro[fluorene-9,9'-xanthene]-4'-yl)aniline
CID 139477235
4,6-diphenyl-2-[2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 137388315
2-[4-(3,5-dichlorophenyl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 164783629
2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379698
N,N,2',7'-tetraphenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 170240662
2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170180907
3-methyl-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170243199
2-chloro-5'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]
CID 134253365
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 139521184
2'-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 170018367

Frequently Asked Questions

What is the IUPAC name of 2'-chloro-7'-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]?
The IUPAC name of 2'-chloro-7'-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene] (CID 155235359) is 2'-chloro-7'-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 2'-chloro-7'-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 2'-chloro-7'-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene] is Clc1ccc2c(c1)C1(c3cc(-c4ccc(-c5ccccc5)cc4)ccc3O2)c2ccccc2-c2ccccc21.
What is the InChIKey of 2'-chloro-7'-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]?
The InChIKey is YKMZBTZCSGZKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23ClO/c38-28-19-21-36-34(23-28)37(31-12-6-4-10-29(31)30-11-5-7-13-32(30)37)33-22-27(18-20-35(33)39-36)26-16-14-25(15-17-26)24-8-2-1-3-9-24/h1-23H.
What are the key properties of 2'-chloro-7'-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]?
2'-chloro-7'-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene] has a molecular weight of 519.04 g/mol, XLogP of 10.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-chloro-7'-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 155235359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).