3-(2-chloro-9-phenylfluoren-9-yl)-2-phenylpyrazino[2,3-b]pyrazine

C31H19ClN4 — CID 153407503

IUPAC3-(2-chloro-9-phenylfluoren-9-yl)-2-phenylpyrazino[2,3-b]pyrazine
SMILESClc1ccc2c(c1)C(c1ccccc1)(c1nc3nccnc3nc1-c1ccccc1)c1ccccc1-2
InChIInChI=1S/C31H19ClN4/c32-22-15-16-24-23-13-7-8-14-25(23)31(26(24)19-22,21-11-5-2-6-12-21)28-27(20-9-3-1-4-10-20)35-29-30(36-28)34-18-17-33-29/h1-19H
InChIKeyCQPJMOMHXDXVDJ-UHFFFAOYSA-N
MW482.97 g/mol
LogP7.10
Rot. Bonds3

About 3-(2-chloro-9-phenylfluoren-9-yl)-2-phenylpyrazino[2,3-b]pyrazine

3-(2-chloro-9-phenylfluoren-9-yl)-2-phenylpyrazino[2,3-b]pyrazine (PubChem CID 153407503) has the molecular formula C31H19ClN4 and a molecular weight of 482.97 g/mol. Its IUPAC name is 3-(2-chloro-9-phenylfluoren-9-yl)-2-phenylpyrazino[2,3-b]pyrazine.

Molecular Properties

Compound Name3-(2-chloro-9-phenylfluoren-9-yl)-2-phenylpyrazino[2,3-b]pyrazine
PubChem CID153407503
Molecular FormulaC31H19ClN4
Molecular Weight482.97 g/mol
Exact Mass482.13
IUPAC Name3-(2-chloro-9-phenylfluoren-9-yl)-2-phenylpyrazino[2,3-b]pyrazine
SMILESClc1ccc2c(c1)C(c1ccccc1)(c1nc3nccnc3nc1-c1ccccc1)c1ccccc1-2
InChIInChI=1S/C31H19ClN4/c32-22-15-16-24-23-13-7-8-14-25(23)31(26(24)19-22,21-11-5-2-6-12-21)28-27(20-9-3-1-4-10-20)35-29-30(36-28)34-18-17-33-29/h1-19H
InChIKeyCQPJMOMHXDXVDJ-UHFFFAOYSA-N
XLogP7.10
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.97
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(2-chloro-9-phenylfluoren-9-yl)-2,4,6-triphenylpteridine
CID 146745993
2-(3-chloro-9-phenylfluoren-9-yl)-3-phenylquinoxaline
CID 153407493
2-(4-chloro-9-phenylfluoren-9-yl)-3-phenylpyrido[2,3-b]pyrazine
CID 153407529
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
CID 102192841
CID 102192841
2'-chloro-5'-(3-chlorophenyl)-9,9'-spirobi[fluorene]
CID 137448777
2,3-diphenylpyrazino[2,3-b]pyrazine
CID 141468009
2-chloro-6-(9,9-diphenylfluoren-2-yl)pyridine
CID 164803869
2-[2-(10',10'-diphenylspiro[fluorene-9,5'-indeno[2,1-a]indene]-2'-yl)-5-pyridin-2-ylphenyl]pyridine
CID 129264556
4-(9,9-diphenylfluoren-2-yl)-6-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 168777762
3-(3-chloro-9-phenylfluoren-9-yl)isoquinoline
CID 153407538

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-9-phenylfluoren-9-yl)-2-phenylpyrazino[2,3-b]pyrazine?
The IUPAC name of 3-(2-chloro-9-phenylfluoren-9-yl)-2-phenylpyrazino[2,3-b]pyrazine (CID 153407503) is 3-(2-chloro-9-phenylfluoren-9-yl)-2-phenylpyrazino[2,3-b]pyrazine.
What is the SMILES notation for 3-(2-chloro-9-phenylfluoren-9-yl)-2-phenylpyrazino[2,3-b]pyrazine?
The canonical SMILES for 3-(2-chloro-9-phenylfluoren-9-yl)-2-phenylpyrazino[2,3-b]pyrazine is Clc1ccc2c(c1)C(c1ccccc1)(c1nc3nccnc3nc1-c1ccccc1)c1ccccc1-2.
What is the InChIKey of 3-(2-chloro-9-phenylfluoren-9-yl)-2-phenylpyrazino[2,3-b]pyrazine?
The InChIKey is CQPJMOMHXDXVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19ClN4/c32-22-15-16-24-23-13-7-8-14-25(23)31(26(24)19-22,21-11-5-2-6-12-21)28-27(20-9-3-1-4-10-20)35-29-30(36-28)34-18-17-33-29/h1-19H.
What are the key properties of 3-(2-chloro-9-phenylfluoren-9-yl)-2-phenylpyrazino[2,3-b]pyrazine?
3-(2-chloro-9-phenylfluoren-9-yl)-2-phenylpyrazino[2,3-b]pyrazine has a molecular weight of 482.97 g/mol, XLogP of 7.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-9-phenylfluoren-9-yl)-2-phenylpyrazino[2,3-b]pyrazine is sourced from PubChem (CID 153407503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).