2-(2-chloro-9-phenylfluoren-9-yl)quinoline

C28H18ClN — CID 153407496

IUPAC2-(2-chloro-9-phenylfluoren-9-yl)quinoline
SMILESClc1ccc2c(c1)C(c1ccccc1)(c1ccc3ccccc3n1)c1ccccc1-2
InChIInChI=1S/C28H18ClN/c29-21-15-16-23-22-11-5-6-12-24(22)28(25(23)18-21,20-9-2-1-3-10-20)27-17-14-19-8-4-7-13-26(19)30-27/h1-18H
InChIKeyCKKIWFLQVJRKNI-UHFFFAOYSA-N
MW403.91 g/mol
LogP7.25
Rot. Bonds2

About 2-(2-chloro-9-phenylfluoren-9-yl)quinoline

2-(2-chloro-9-phenylfluoren-9-yl)quinoline (PubChem CID 153407496) has the molecular formula C28H18ClN and a molecular weight of 403.91 g/mol. Its IUPAC name is 2-(2-chloro-9-phenylfluoren-9-yl)quinoline.

Molecular Properties

Compound Name2-(2-chloro-9-phenylfluoren-9-yl)quinoline
PubChem CID153407496
Molecular FormulaC28H18ClN
Molecular Weight403.91 g/mol
Exact Mass403.11
IUPAC Name2-(2-chloro-9-phenylfluoren-9-yl)quinoline
SMILESClc1ccc2c(c1)C(c1ccccc1)(c1ccc3ccccc3n1)c1ccccc1-2
InChIInChI=1S/C28H18ClN/c29-21-15-16-23-22-11-5-6-12-24(22)28(25(23)18-21,20-9-2-1-3-10-20)27-17-14-19-8-4-7-13-26(19)30-27/h1-18H
InChIKeyCKKIWFLQVJRKNI-UHFFFAOYSA-N
XLogP7.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(2-chloro-9-phenylfluoren-9-yl)-2,4-diphenylpyrido[3,2-d]pyrimidine
CID 153407544
3-(3-chloro-9-phenylfluoren-9-yl)isoquinoline
CID 153407538
CID 102192841
CID 102192841
2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 138667036
3-(2-chloro-9-phenylfluoren-9-yl)-2-phenylpyrazino[2,3-b]pyrazine
CID 153407503
2-(3-chloro-9-phenylfluoren-9-yl)-3-phenylquinoxaline
CID 153407493
2-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]
CID 130260395
2-(2-chloro-9-phenylfluoren-9-yl)dibenzofuran
CID 142745507
2-chloro-6-(9,9-diphenylfluoren-2-yl)pyridine
CID 164803869
N-(4-chlorophenyl)-N,9,9-triphenylfluoren-2-amine
CID 139762369
7-(2-chloro-9-phenylfluoren-9-yl)-2,4,6-triphenylpteridine
CID 146745993
2-chlorospiro[benzo[a]fluorene-11,9'-fluorene]
CID 145144854

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-9-phenylfluoren-9-yl)quinoline?
The IUPAC name of 2-(2-chloro-9-phenylfluoren-9-yl)quinoline (CID 153407496) is 2-(2-chloro-9-phenylfluoren-9-yl)quinoline.
What is the SMILES notation for 2-(2-chloro-9-phenylfluoren-9-yl)quinoline?
The canonical SMILES for 2-(2-chloro-9-phenylfluoren-9-yl)quinoline is Clc1ccc2c(c1)C(c1ccccc1)(c1ccc3ccccc3n1)c1ccccc1-2.
What is the InChIKey of 2-(2-chloro-9-phenylfluoren-9-yl)quinoline?
The InChIKey is CKKIWFLQVJRKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18ClN/c29-21-15-16-23-22-11-5-6-12-24(22)28(25(23)18-21,20-9-2-1-3-10-20)27-17-14-19-8-4-7-13-26(19)30-27/h1-18H.
What are the key properties of 2-(2-chloro-9-phenylfluoren-9-yl)quinoline?
2-(2-chloro-9-phenylfluoren-9-yl)quinoline has a molecular weight of 403.91 g/mol, XLogP of 7.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-9-phenylfluoren-9-yl)quinoline is sourced from PubChem (CID 153407496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).