2-(3-chloro-9-phenylfluoren-9-yl)-3-phenylquinoxaline

C33H21ClN2 — CID 153407493

IUPAC2-(3-chloro-9-phenylfluoren-9-yl)-3-phenylquinoxaline
SMILESClc1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C33H21ClN2/c34-24-19-20-28-26(21-24)25-15-7-8-16-27(25)33(28,23-13-5-2-6-14-23)32-31(22-11-3-1-4-12-22)35-29-17-9-10-18-30(29)36-32/h1-21H
InChIKeyPZIPQMWAIMWHOS-UHFFFAOYSA-N
MW481.00 g/mol
LogP8.31
Rot. Bonds3

About 2-(3-chloro-9-phenylfluoren-9-yl)-3-phenylquinoxaline

2-(3-chloro-9-phenylfluoren-9-yl)-3-phenylquinoxaline (PubChem CID 153407493) has the molecular formula C33H21ClN2 and a molecular weight of 481.00 g/mol. Its IUPAC name is 2-(3-chloro-9-phenylfluoren-9-yl)-3-phenylquinoxaline.

Molecular Properties

Compound Name2-(3-chloro-9-phenylfluoren-9-yl)-3-phenylquinoxaline
PubChem CID153407493
Molecular FormulaC33H21ClN2
Molecular Weight481.00 g/mol
Exact Mass480.14
IUPAC Name2-(3-chloro-9-phenylfluoren-9-yl)-3-phenylquinoxaline
SMILESClc1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C33H21ClN2/c34-24-19-20-28-26(21-24)25-15-7-8-16-27(25)33(28,23-13-5-2-6-14-23)32-31(22-11-3-1-4-12-22)35-29-17-9-10-18-30(29)36-32/h1-21H
InChIKeyPZIPQMWAIMWHOS-UHFFFAOYSA-N
XLogP8.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.00
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloro-9-phenylfluoren-9-yl)-2-phenylpyrazino[2,3-b]pyrazine
CID 153407503
7-(2-chloro-9-phenylfluoren-9-yl)-2,4,6-triphenylpteridine
CID 146745993
2-(4-chloro-9-phenylfluoren-9-yl)-3-phenylpyrido[2,3-b]pyrazine
CID 153407529
9-[4-chloro-2-(9,9-diphenylfluoren-3-yl)phenyl]phenanthrene
CID 139546670
2-(11,11-diphenylbenzo[b]fluoren-6-yl)-3-phenylquinoxaline
CID 155465410
3,6-dichlorospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130265363
3-(3-chloro-9-phenylfluoren-9-yl)isoquinoline
CID 153407538
2,3-diphenyl-6-(9,9,10,10-tetraphenylphenanthren-3-yl)quinoxaline
CID 163454083
6-(2-chloro-9-phenylfluoren-9-yl)-2,4-diphenylpyrido[3,2-d]pyrimidine
CID 153407544
2-(2-chloro-9-phenylfluoren-9-yl)quinoline
CID 153407496
2-(7,7-diphenylbenzo[c]fluoren-3-yl)-3-phenylquinoxaline
CID 155465500
8,8-diphenyl-15-[3-[3-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 153344900

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-9-phenylfluoren-9-yl)-3-phenylquinoxaline?
The IUPAC name of 2-(3-chloro-9-phenylfluoren-9-yl)-3-phenylquinoxaline (CID 153407493) is 2-(3-chloro-9-phenylfluoren-9-yl)-3-phenylquinoxaline.
What is the SMILES notation for 2-(3-chloro-9-phenylfluoren-9-yl)-3-phenylquinoxaline?
The canonical SMILES for 2-(3-chloro-9-phenylfluoren-9-yl)-3-phenylquinoxaline is Clc1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1nc2ccccc2nc1-c1ccccc1.
What is the InChIKey of 2-(3-chloro-9-phenylfluoren-9-yl)-3-phenylquinoxaline?
The InChIKey is PZIPQMWAIMWHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21ClN2/c34-24-19-20-28-26(21-24)25-15-7-8-16-27(25)33(28,23-13-5-2-6-14-23)32-31(22-11-3-1-4-12-22)35-29-17-9-10-18-30(29)36-32/h1-21H.
What are the key properties of 2-(3-chloro-9-phenylfluoren-9-yl)-3-phenylquinoxaline?
2-(3-chloro-9-phenylfluoren-9-yl)-3-phenylquinoxaline has a molecular weight of 481.00 g/mol, XLogP of 8.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-9-phenylfluoren-9-yl)-3-phenylquinoxaline is sourced from PubChem (CID 153407493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).