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

C118H80BBrN8O2 — CID 157435722

IUPAC3-[3-(3-bromophenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
SMILESBrc1cccc(-c2cccc(-c3cnc4c5ccccc5c5ccccc5c4n3)c2)c1.CC1(C)OB(c2cccc(-c3cccc(-c4cnc5c6ccccc6c6ccccc6c5n4)c3)c2)OC1(C)C.c1cc(-c2cccc(-c3cccc(-c4cnc5c6ccccc6c6ccccc6c5n4)c3)c2)cc(-c2cccc(-c3cnc4c5ccccc5c5ccccc5c4n3)c2)c1
InChIInChI=1S/C56H34N4.C34H29BN2O2.C28H17BrN2/c1-5-25-47-43(21-1)45-23-3-7-27-49(45)55-53(47)57-33-51(59-55)41-19-11-17-39(31-41)37-15-9-13-35(29-37)36-14-10-16-38(30-36)40-18-12-20-42(32-40)52-34-58-54-48-26-6-2-22-44(48)46-24-4-8-28-50(46)56(54)60-52;1-33(2)34(3,4)39-35(38-33)25-14-10-12-23(20-25)22-11-9-13-24(19-22)30-21-36-31-28-17-7-5-15-26(28)27-16-6-8-18-29(27)32(31)37-30;29-21-10-6-8-19(16-21)18-7-5-9-20(15-18)26-17-30-27-24-13-3-1-11-22(24)23-12-2-4-14-25(23)28(27)31-26/h1-34H;5-21H,1-4H3;1-17H
InChIKeyBRBMVAZCTWXATK-UHFFFAOYSA-N
MW1732.71 g/mol
LogP30.12
Rot. Bonds10

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

3-[3-(3-bromophenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 157435722) has the molecular formula C118H80BBrN8O2 and a molecular weight of 1732.71 g/mol. Its IUPAC name is 3-[3-(3-bromophenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-[3-(3-bromophenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
PubChem CID157435722
Molecular FormulaC118H80BBrN8O2
Molecular Weight1732.71 g/mol
Exact Mass1730.57
IUPAC Name3-[3-(3-bromophenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
SMILESBrc1cccc(-c2cccc(-c3cnc4c5ccccc5c5ccccc5c4n3)c2)c1.CC1(C)OB(c2cccc(-c3cccc(-c4cnc5c6ccccc6c6ccccc6c5n4)c3)c2)OC1(C)C.c1cc(-c2cccc(-c3cccc(-c4cnc5c6ccccc6c6ccccc6c5n4)c3)c2)cc(-c2cccc(-c3cnc4c5ccccc5c5ccccc5c4n3)c2)c1
InChIInChI=1S/C56H34N4.C34H29BN2O2.C28H17BrN2/c1-5-25-47-43(21-1)45-23-3-7-27-49(45)55-53(47)57-33-51(59-55)41-19-11-17-39(31-41)37-15-9-13-35(29-37)36-14-10-16-38(30-36)40-18-12-20-42(32-40)52-34-58-54-48-26-6-2-22-44(48)46-24-4-8-28-50(46)56(54)60-52;1-33(2)34(3,4)39-35(38-33)25-14-10-12-23(20-25)22-11-9-13-24(19-22)30-21-36-31-28-17-7-5-15-26(28)27-16-6-8-18-29(27)32(31)37-30;29-21-10-6-8-19(16-21)18-7-5-9-20(15-18)26-17-30-27-24-13-3-1-11-22(24)23-12-2-4-14-25(23)28(27)31-26/h1-34H;5-21H,1-4H3;1-17H
InChIKeyBRBMVAZCTWXATK-UHFFFAOYSA-N
XLogP30.12
TPSA121.58 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001732.71
LogP ≤ 530.12
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-(3-bromophenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine with MolForge

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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-(3-bromophenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 3-[3-(3-bromophenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine (CID 157435722) is 3-[3-(3-bromophenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-[3-(3-bromophenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-[3-(3-bromophenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine is Brc1cccc(-c2cccc(-c3cnc4c5ccccc5c5ccccc5c4n3)c2)c1.CC1(C)OB(c2cccc(-c3cccc(-c4cnc5c6ccccc6c6ccccc6c5n4)c3)c2)OC1(C)C.c1cc(-c2cccc(-c3cccc(-c4cnc5c6ccccc6c6ccccc6c5n4)c3)c2)cc(-c2cccc(-c3cnc4c5ccccc5c5ccccc5c4n3)c2)c1.
What is the InChIKey of 3-[3-(3-bromophenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is BRBMVAZCTWXATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4.C34H29BN2O2.C28H17BrN2/c1-5-25-47-43(21-1)45-23-3-7-27-49(45)55-53(47)57-33-51(59-55)41-19-11-17-39(31-41)37-15-9-13-35(29-37)36-14-10-16-38(30-36)40-18-12-20-42(32-40)52-34-58-54-48-26-6-2-22-44(48)46-24-4-8-28-50(46)56(54)60-52;1-33(2)34(3,4)39-35(38-33)25-14-10-12-23(20-25)22-11-9-13-24(19-22)30-21-36-31-28-17-7-5-15-26(28)27-16-6-8-18-29(27)32(31)37-30;29-21-10-6-8-19(16-21)18-7-5-9-20(15-18)26-17-30-27-24-13-3-1-11-22(24)23-12-2-4-14-25(23)28(27)31-26/h1-34H;5-21H,1-4H3;1-17H.
What are the key properties of 3-[3-(3-bromophenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?
3-[3-(3-bromophenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 1732.71 g/mol, XLogP of 30.12, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-bromophenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 157435722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).