3-(3-bromophenyl)phenanthro[9,10-b]pyrazine;3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthro[9,10-b]pyrazine

C94H64BBrN8O2 — CID 158266705

IUPAC3-(3-bromophenyl)phenanthro[9,10-b]pyrazine;3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthro[9,10-b]pyrazine
SMILESBrc1cccc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1.CC1(C)OB(c2cccc(-c3cnc4c5ccccc5c5ccccc5c4n3)c2)OC1(C)C.c1cc(-c2cccc(-c3cnc4c5ccccc5c5ccccc5c4n3)c2)cc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1
InChIInChI=1S/C44H26N4.C28H25BN2O2.C22H13BrN2/c1-5-19-35-31(15-1)33-17-3-7-21-37(33)43-41(35)45-25-39(47-43)29-13-9-11-27(23-29)28-12-10-14-30(24-28)40-26-46-42-36-20-6-2-16-32(36)34-18-4-8-22-38(34)44(42)48-40;1-27(2)28(3,4)33-29(32-27)19-11-9-10-18(16-19)24-17-30-25-22-14-7-5-12-20(22)21-13-6-8-15-23(21)26(25)31-24;23-15-7-5-6-14(12-15)20-13-24-21-18-10-3-1-8-16(18)17-9-2-4-11-19(17)22(21)25-20/h1-26H;5-17H,1-4H3;1-13H
InChIKeyGINNERRTCXXRBO-UHFFFAOYSA-N
MW1428.32 g/mol
LogP23.45
Rot. Bonds6

About 3-(3-bromophenyl)phenanthro[9,10-b]pyrazine;3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthro[9,10-b]pyrazine

3-(3-bromophenyl)phenanthro[9,10-b]pyrazine;3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 158266705) has the molecular formula C94H64BBrN8O2 and a molecular weight of 1428.32 g/mol. Its IUPAC name is 3-(3-bromophenyl)phenanthro[9,10-b]pyrazine;3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-(3-bromophenyl)phenanthro[9,10-b]pyrazine;3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthro[9,10-b]pyrazine
PubChem CID158266705
Molecular FormulaC94H64BBrN8O2
Molecular Weight1428.32 g/mol
Exact Mass1426.44
IUPAC Name3-(3-bromophenyl)phenanthro[9,10-b]pyrazine;3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthro[9,10-b]pyrazine
SMILESBrc1cccc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1.CC1(C)OB(c2cccc(-c3cnc4c5ccccc5c5ccccc5c4n3)c2)OC1(C)C.c1cc(-c2cccc(-c3cnc4c5ccccc5c5ccccc5c4n3)c2)cc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1
InChIInChI=1S/C44H26N4.C28H25BN2O2.C22H13BrN2/c1-5-19-35-31(15-1)33-17-3-7-21-37(33)43-41(35)45-25-39(47-43)29-13-9-11-27(23-29)28-12-10-14-30(24-28)40-26-46-42-36-20-6-2-16-32(36)34-18-4-8-22-38(34)44(42)48-40;1-27(2)28(3,4)33-29(32-27)19-11-9-10-18(16-19)24-17-30-25-22-14-7-5-12-20(22)21-13-6-8-15-23(21)26(25)31-24;23-15-7-5-6-14(12-15)20-13-24-21-18-10-3-1-8-16(18)17-9-2-4-11-19(17)22(21)25-20/h1-26H;5-17H,1-4H3;1-13H
InChIKeyGINNERRTCXXRBO-UHFFFAOYSA-N
XLogP23.45
TPSA121.58 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001428.32
LogP ≤ 523.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-(3-bromophenyl)phenanthro[9,10-b]pyrazine;3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthro[9,10-b]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-Bromophenanthro[9,10-b]pyrazine;10-[4-(trifluoromethyl)phenyl]phenanthro[9,10-b]pyrazine
CID 160913415
10-[3,5-Bis(trifluoromethyl)phenyl]phenanthro[9,10-b]pyrazine;10-bromophenanthro[9,10-b]pyrazine
CID 161517295
4,7-Bis(9-bromoanthracen-1-yl)-1,10-phenanthroline
CID 91251642
3-[2-[4-[2-[2-(4-Bromo-2,3,5,6-tetramethylphenyl)-9-(2,4,6-trimethylphenyl)-1,10-phenanthrolin-3-yl]ethynyl]-2,3,5,6-tetramethylphenyl]ethynyl]-8-[2-[2,3,5,6-tetramethyl-4-[2-(1,10-phenanthrolin-3-yl)ethynyl]phenyl]ethynyl]-2,9-bis(2,4,6-trimethylphenyl)-1,10-phenanthroline
CID 102217683
2-(4-Bromo-2,3,5,6-tetramethylphenyl)-3-[2-[4-[2-[8-[2-[4-[2-[2-(4-bromo-2,3,5,6-tetramethylphenyl)-9-(2,4,6-trimethylphenyl)-1,10-phenanthrolin-3-yl]ethynyl]-2,3,5,6-tetramethylphenyl]ethynyl]-1,10-phenanthrolin-3-yl]ethynyl]-2,3,5,6-tetramethylphenyl]ethynyl]-9-(2,4,6-trimethylphenyl)-1,10-phenanthroline
CID 102217685
3,6,11-Tri(quinolin-3-yl)dibenzo[a,c]phenazine
CID 156024910
2-Bromo-4-phenyl-1,10-phenanthroline
CID 168304551
1,5-Di(1,10-phenanthrolin-2-yl)anthracene
CID 10792409
1,10-Phenanthroline, 2,2'-(1,6-pyrenediyl)bis-
CID 12057509
2-Methyl-3-[5-(2-methylphenanthro[9,10-b]pyrazin-3-yl)pyrazin-2-yl]phenanthro[9,10-b]pyrazine
CID 20720410
N,N-bis[2,5-dimethyl-4-(1,10-phenanthrolin-5-yl)phenyl]-2,5-dimethyl-4-(1,10-phenanthrolin-5-yl)aniline
CID 20720472
2,3,5,6-tetramethyl-4-(1,10-phenanthrolin-5-yl)-N,N-bis[2,3,5,6-tetramethyl-4-(1,10-phenanthrolin-5-yl)phenyl]aniline
CID 20735925

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)phenanthro[9,10-b]pyrazine;3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 3-(3-bromophenyl)phenanthro[9,10-b]pyrazine;3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthro[9,10-b]pyrazine (CID 158266705) is 3-(3-bromophenyl)phenanthro[9,10-b]pyrazine;3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-(3-bromophenyl)phenanthro[9,10-b]pyrazine;3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-(3-bromophenyl)phenanthro[9,10-b]pyrazine;3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthro[9,10-b]pyrazine is Brc1cccc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1.CC1(C)OB(c2cccc(-c3cnc4c5ccccc5c5ccccc5c4n3)c2)OC1(C)C.c1cc(-c2cccc(-c3cnc4c5ccccc5c5ccccc5c4n3)c2)cc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1.
What is the InChIKey of 3-(3-bromophenyl)phenanthro[9,10-b]pyrazine;3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is GINNERRTCXXRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4.C28H25BN2O2.C22H13BrN2/c1-5-19-35-31(15-1)33-17-3-7-21-37(33)43-41(35)45-25-39(47-43)29-13-9-11-27(23-29)28-12-10-14-30(24-28)40-26-46-42-36-20-6-2-16-32(36)34-18-4-8-22-38(34)44(42)48-40;1-27(2)28(3,4)33-29(32-27)19-11-9-10-18(16-19)24-17-30-25-22-14-7-5-12-20(22)21-13-6-8-15-23(21)26(25)31-24;23-15-7-5-6-14(12-15)20-13-24-21-18-10-3-1-8-16(18)17-9-2-4-11-19(17)22(21)25-20/h1-26H;5-17H,1-4H3;1-13H.
What are the key properties of 3-(3-bromophenyl)phenanthro[9,10-b]pyrazine;3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthro[9,10-b]pyrazine?
3-(3-bromophenyl)phenanthro[9,10-b]pyrazine;3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 1428.32 g/mol, XLogP of 23.45, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)phenanthro[9,10-b]pyrazine;3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 158266705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).