6,7-bis(4-bromophenyl)pteridine;2,3-bis(4-bromophenyl)pyrido[2,3-b]pyrazine;2,3-bis(4-bromophenyl)pyrido[3,4-b]pyrazine;[2,3-bis(4-bromophenyl)quinoxalin-6-yl]-phenylmethanone

C83H48Br8N12O — CID 159125129

IUPAC6,7-bis(4-bromophenyl)pteridine;2,3-bis(4-bromophenyl)pyrido[2,3-b]pyrazine;2,3-bis(4-bromophenyl)pyrido[3,4-b]pyrazine;[2,3-bis(4-bromophenyl)quinoxalin-6-yl]-phenylmethanone
SMILESBrc1ccc(-c2nc3cccnc3nc2-c2ccc(Br)cc2)cc1.Brc1ccc(-c2nc3ccncc3nc2-c2ccc(Br)cc2)cc1.Brc1ccc(-c2nc3cncnc3nc2-c2ccc(Br)cc2)cc1.O=C(c1ccccc1)c1ccc2nc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)nc2c1
InChIInChI=1S/C27H16Br2N2O.2C19H11Br2N3.C18H10Br2N4/c28-21-11-6-17(7-12-21)25-26(18-8-13-22(29)14-9-18)31-24-16-20(10-15-23(24)30-25)27(32)19-4-2-1-3-5-19;20-14-5-1-12(2-6-14)18-19(13-3-7-15(21)8-4-13)24-17-11-22-10-9-16(17)23-18;20-14-7-3-12(4-8-14)17-18(13-5-9-15(21)10-6-13)24-19-16(23-17)2-1-11-22-19;19-13-5-1-11(2-6-13)16-17(12-3-7-14(20)8-4-12)24-18-15(23-16)9-21-10-22-18/h1-16H;2*1-11H;1-10H
InChIKeyKGEIYHRQUNCAAE-UHFFFAOYSA-N
MW1868.61 g/mol
LogP24.77
Rot. Bonds10

About 6,7-bis(4-bromophenyl)pteridine;2,3-bis(4-bromophenyl)pyrido[2,3-b]pyrazine;2,3-bis(4-bromophenyl)pyrido[3,4-b]pyrazine;[2,3-bis(4-bromophenyl)quinoxalin-6-yl]-phenylmethanone

6,7-bis(4-bromophenyl)pteridine;2,3-bis(4-bromophenyl)pyrido[2,3-b]pyrazine;2,3-bis(4-bromophenyl)pyrido[3,4-b]pyrazine;[2,3-bis(4-bromophenyl)quinoxalin-6-yl]-phenylmethanone (PubChem CID 159125129) has the molecular formula C83H48Br8N12O and a molecular weight of 1868.61 g/mol. Its IUPAC name is 6,7-bis(4-bromophenyl)pteridine;2,3-bis(4-bromophenyl)pyrido[2,3-b]pyrazine;2,3-bis(4-bromophenyl)pyrido[3,4-b]pyrazine;[2,3-bis(4-bromophenyl)quinoxalin-6-yl]-phenylmethanone.

Molecular Properties

Compound Name6,7-bis(4-bromophenyl)pteridine;2,3-bis(4-bromophenyl)pyrido[2,3-b]pyrazine;2,3-bis(4-bromophenyl)pyrido[3,4-b]pyrazine;[2,3-bis(4-bromophenyl)quinoxalin-6-yl]-phenylmethanone
PubChem CID159125129
Molecular FormulaC83H48Br8N12O
Molecular Weight1868.61 g/mol
Exact Mass1859.75
IUPAC Name6,7-bis(4-bromophenyl)pteridine;2,3-bis(4-bromophenyl)pyrido[2,3-b]pyrazine;2,3-bis(4-bromophenyl)pyrido[3,4-b]pyrazine;[2,3-bis(4-bromophenyl)quinoxalin-6-yl]-phenylmethanone
SMILESBrc1ccc(-c2nc3cccnc3nc2-c2ccc(Br)cc2)cc1.Brc1ccc(-c2nc3ccncc3nc2-c2ccc(Br)cc2)cc1.Brc1ccc(-c2nc3cncnc3nc2-c2ccc(Br)cc2)cc1.O=C(c1ccccc1)c1ccc2nc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)nc2c1
InChIInChI=1S/C27H16Br2N2O.2C19H11Br2N3.C18H10Br2N4/c28-21-11-6-17(7-12-21)25-26(18-8-13-22(29)14-9-18)31-24-16-20(10-15-23(24)30-25)27(32)19-4-2-1-3-5-19;20-14-5-1-12(2-6-14)18-19(13-3-7-15(21)8-4-13)24-17-11-22-10-9-16(17)23-18;20-14-7-3-12(4-8-14)17-18(13-5-9-15(21)10-6-13)24-19-16(23-17)2-1-11-22-19;19-13-5-1-11(2-6-13)16-17(12-3-7-14(20)8-4-12)24-18-15(23-16)9-21-10-22-18/h1-16H;2*1-11H;1-10H
InChIKeyKGEIYHRQUNCAAE-UHFFFAOYSA-N
XLogP24.77
TPSA171.75 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001868.61
LogP ≤ 524.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 6,7-bis(4-bromophenyl)pteridine;2,3-bis(4-bromophenyl)pyrido[2,3-b]pyrazine;2,3-bis(4-bromophenyl)pyrido[3,4-b]pyrazine;[2,3-bis(4-bromophenyl)quinoxalin-6-yl]-phenylmethanone with MolForge

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Related Compounds

Bis[2-phenyl-5-(4-pyrazin-2-ylpiperazin-1-yl)quinazolin-4-yl]methanone
CID 140235650
6,7-Bis(4-bromophenyl)pteridine;2,3-bis(4-bromophenyl)pyrido[2,3-b]pyrazine;2,3-bis(4-bromophenyl)pyrido[3,4-b]pyrazine
CID 158199265
1-Pyridin-4-yl-2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]ethanone
CID 158325264
N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;bis(4-bromophenyl)methanone;4,6-bis(4-bromophenyl)-2-phenylpyrimidine;3,8-dibromo-5,6-dimethyl-1,10-phenanthroline
CID 158733263
CID 158806218
CID 158806218
Methane;7-methyl-2-propan-2-ylquinazoline;1-(6-propan-2-yl-1,5-naphthyridin-3-yl)ethanone;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylpyrido[3,2-d]pyrimidine
CID 159096736
2,8,14,20,26,32-Hexakis(1,5-naphthyridin-4-yl)-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2,8,14,20,26,32-hexakis(1,8-naphthyridin-4-yl)-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;[4-[8,14,20,26,32-pentakis(4-benzoylphenyl)-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaen-2-yl]phenyl]-phenylmethanone
CID 159352408
1-(2,3-Dimethylquinoxalin-6-yl)ethanone;ethane;methane;pyrimidine;2,4,6-trimethyl-1,3,5-triazine
CID 160388011
4-(4-Bromophenyl)-2-phenylpyrido[2,3-d]pyrimidine;4-(4-bromophenyl)-2-phenylpyrido[3,2-d]pyrimidine;4-(4-bromophenyl)-2-phenylquinazoline
CID 160856758
6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinoxalin-6-yl-1H-1,8-naphthyridin-4-one;quinoxalin-6-ylboronic acid
CID 160887626
1-(2,3-Dimethylquinoxalin-6-yl)ethanone;ethane;pyrimidine;2,4,6-trimethyl-1,3,5-triazine
CID 161430395
(E)-1-[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]-5-[4-(2-fluoroethyl)piperazin-1-yl]pent-3-en-2-one;(E)-1-[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]-5-piperazin-1-ylpent-3-en-2-one;(E)-1-[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]-5-piperidin-1-ylpent-3-en-2-one;(E)-5-bromo-1-[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]pent-3-en-2-one;4-N-(3-bromophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine;methane;molecular hydrogen
CID 161509640

Frequently Asked Questions

What is the IUPAC name of 6,7-bis(4-bromophenyl)pteridine;2,3-bis(4-bromophenyl)pyrido[2,3-b]pyrazine;2,3-bis(4-bromophenyl)pyrido[3,4-b]pyrazine;[2,3-bis(4-bromophenyl)quinoxalin-6-yl]-phenylmethanone?
The IUPAC name of 6,7-bis(4-bromophenyl)pteridine;2,3-bis(4-bromophenyl)pyrido[2,3-b]pyrazine;2,3-bis(4-bromophenyl)pyrido[3,4-b]pyrazine;[2,3-bis(4-bromophenyl)quinoxalin-6-yl]-phenylmethanone (CID 159125129) is 6,7-bis(4-bromophenyl)pteridine;2,3-bis(4-bromophenyl)pyrido[2,3-b]pyrazine;2,3-bis(4-bromophenyl)pyrido[3,4-b]pyrazine;[2,3-bis(4-bromophenyl)quinoxalin-6-yl]-phenylmethanone.
What is the SMILES notation for 6,7-bis(4-bromophenyl)pteridine;2,3-bis(4-bromophenyl)pyrido[2,3-b]pyrazine;2,3-bis(4-bromophenyl)pyrido[3,4-b]pyrazine;[2,3-bis(4-bromophenyl)quinoxalin-6-yl]-phenylmethanone?
The canonical SMILES for 6,7-bis(4-bromophenyl)pteridine;2,3-bis(4-bromophenyl)pyrido[2,3-b]pyrazine;2,3-bis(4-bromophenyl)pyrido[3,4-b]pyrazine;[2,3-bis(4-bromophenyl)quinoxalin-6-yl]-phenylmethanone is Brc1ccc(-c2nc3cccnc3nc2-c2ccc(Br)cc2)cc1.Brc1ccc(-c2nc3ccncc3nc2-c2ccc(Br)cc2)cc1.Brc1ccc(-c2nc3cncnc3nc2-c2ccc(Br)cc2)cc1.O=C(c1ccccc1)c1ccc2nc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)nc2c1.
What is the InChIKey of 6,7-bis(4-bromophenyl)pteridine;2,3-bis(4-bromophenyl)pyrido[2,3-b]pyrazine;2,3-bis(4-bromophenyl)pyrido[3,4-b]pyrazine;[2,3-bis(4-bromophenyl)quinoxalin-6-yl]-phenylmethanone?
The InChIKey is KGEIYHRQUNCAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16Br2N2O.2C19H11Br2N3.C18H10Br2N4/c28-21-11-6-17(7-12-21)25-26(18-8-13-22(29)14-9-18)31-24-16-20(10-15-23(24)30-25)27(32)19-4-2-1-3-5-19;20-14-5-1-12(2-6-14)18-19(13-3-7-15(21)8-4-13)24-17-11-22-10-9-16(17)23-18;20-14-7-3-12(4-8-14)17-18(13-5-9-15(21)10-6-13)24-19-16(23-17)2-1-11-22-19;19-13-5-1-11(2-6-13)16-17(12-3-7-14(20)8-4-12)24-18-15(23-16)9-21-10-22-18/h1-16H;2*1-11H;1-10H.
What are the key properties of 6,7-bis(4-bromophenyl)pteridine;2,3-bis(4-bromophenyl)pyrido[2,3-b]pyrazine;2,3-bis(4-bromophenyl)pyrido[3,4-b]pyrazine;[2,3-bis(4-bromophenyl)quinoxalin-6-yl]-phenylmethanone?
6,7-bis(4-bromophenyl)pteridine;2,3-bis(4-bromophenyl)pyrido[2,3-b]pyrazine;2,3-bis(4-bromophenyl)pyrido[3,4-b]pyrazine;[2,3-bis(4-bromophenyl)quinoxalin-6-yl]-phenylmethanone has a molecular weight of 1868.61 g/mol, XLogP of 24.77, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(4-bromophenyl)pteridine;2,3-bis(4-bromophenyl)pyrido[2,3-b]pyrazine;2,3-bis(4-bromophenyl)pyrido[3,4-b]pyrazine;[2,3-bis(4-bromophenyl)quinoxalin-6-yl]-phenylmethanone is sourced from PubChem (CID 159125129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).