3-(3-bromo-5-pyridin-3-ylphenyl)pyridine;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine;3-(3,5-dipyridin-3-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine

C106H80BBrN8O2 — CID 158172100

IUPAC3-(3-bromo-5-pyridin-3-ylphenyl)pyridine;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine;3-(3,5-dipyridin-3-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine
SMILESBrc1cc(-c2cccnc2)cc(-c2cccnc2)c1.Cc1c2c(-c3ccccc3)nc3cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12.Cc1c2c(-c3ccccc3)nc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12
InChIInChI=1S/C50H34N4.C40H35BN2O2.C16H11BrN2/c1-31-45-41-19-9-10-20-43(41)53-49(33-13-5-3-6-14-33)47(45)32(2)46-42-22-21-35(28-44(42)54-50(48(31)46)34-15-7-4-8-16-34)38-25-39(36-17-11-23-51-29-36)27-40(26-38)37-18-12-24-52-30-37;1-24-33-29-19-13-14-20-31(29)42-37(26-15-9-7-10-16-26)35(33)25(2)34-30-22-21-28(41-44-39(3,4)40(5,6)45-41)23-32(30)43-38(36(24)34)27-17-11-8-12-18-27;17-16-8-14(12-3-1-5-18-10-12)7-15(9-16)13-4-2-6-19-11-13/h3-30H,1-2H3;7-23H,1-6H3;1-11H
InChIKeyFXOREJQSCNDJDU-UHFFFAOYSA-N
MW1588.58 g/mol
LogP26.74
Rot. Bonds10

About 3-(3-bromo-5-pyridin-3-ylphenyl)pyridine;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine;3-(3,5-dipyridin-3-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine

3-(3-bromo-5-pyridin-3-ylphenyl)pyridine;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine;3-(3,5-dipyridin-3-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine (PubChem CID 158172100) has the molecular formula C106H80BBrN8O2 and a molecular weight of 1588.58 g/mol. Its IUPAC name is 3-(3-bromo-5-pyridin-3-ylphenyl)pyridine;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine;3-(3,5-dipyridin-3-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine.

Molecular Properties

Compound Name3-(3-bromo-5-pyridin-3-ylphenyl)pyridine;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine;3-(3,5-dipyridin-3-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine
PubChem CID158172100
Molecular FormulaC106H80BBrN8O2
Molecular Weight1588.58 g/mol
Exact Mass1586.57
IUPAC Name3-(3-bromo-5-pyridin-3-ylphenyl)pyridine;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine;3-(3,5-dipyridin-3-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine
SMILESBrc1cc(-c2cccnc2)cc(-c2cccnc2)c1.Cc1c2c(-c3ccccc3)nc3cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12.Cc1c2c(-c3ccccc3)nc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12
InChIInChI=1S/C50H34N4.C40H35BN2O2.C16H11BrN2/c1-31-45-41-19-9-10-20-43(41)53-49(33-13-5-3-6-14-33)47(45)32(2)46-42-22-21-35(28-44(42)54-50(48(31)46)34-15-7-4-8-16-34)38-25-39(36-17-11-23-51-29-36)27-40(26-38)37-18-12-24-52-30-37;1-24-33-29-19-13-14-20-31(29)42-37(26-15-9-7-10-16-26)35(33)25(2)34-30-22-21-28(41-44-39(3,4)40(5,6)45-41)23-32(30)43-38(36(24)34)27-17-11-8-12-18-27;17-16-8-14(12-3-1-5-18-10-12)7-15(9-16)13-4-2-6-19-11-13/h3-30H,1-2H3;7-23H,1-6H3;1-11H
InChIKeyFXOREJQSCNDJDU-UHFFFAOYSA-N
XLogP26.74
TPSA121.58 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001588.58
LogP ≤ 526.74
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_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-(3-bromo-5-pyridin-3-ylphenyl)pyridine;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine;3-(3,5-dipyridin-3-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine 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

benzonitrile;2-(3-bromo-5-methylphenyl)-4-phenylpyridine;2-(3-bromo-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-bromo-4-phenylpyridine;3-methyl-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)-N-[3-(4-phenyl-2-pyridinyl)-5-(trifluoromethyl)benzene-2-id-1-yl]benzene-6-id-1-amine;3-methyl-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)-N-[3-(4-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]aniline;2-phenylaniline;platinum(2+)
CID 157358941
8-bromo-5-(trifluoromethyl)quinoline;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(trifluoromethyl)quinolin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 158163663
6-Bromo-8-(trifluoromethyl)quinoline;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-(trifluoromethyl)quinoline
CID 158672924
4-Bromo-1-(4-tert-butylphenyl)isoquinoline;4-bromo-1-(4-methylphenyl)isoquinoline;1-(3-bromophenyl)isoquinoline;1-(3-tert-butylphenyl)isoquinoline;1-(4-tert-butylphenyl)-4-methylisoquinoline;1-(3-fluorophenyl)isoquinoline;4-methyl-1-(4-methylphenyl)isoquinoline;1-(3-methylphenyl)isoquinoline;1-[3-(trifluoromethyl)phenyl]isoquinoline;1-[3-[4-(trifluoromethyl)phenyl]phenyl]isoquinoline
CID 159504461
4-Bromo-2-(trifluoromethyl)aniline;6-bromo-8-(trifluoromethyl)quinoline;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-(trifluoromethyl)quinoline
CID 160009468
4-(3-Bromophenyl)-3-methyl-8-(trifluoromethyl)quinoline;3-methyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8-(trifluoromethyl)quinoline
CID 160246527
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
4-[2,3,4,5,6-Pentakis(7-pyridin-2-ylquinolin-4-yl)phenyl]-7-pyridin-2-ylquinoline
CID 59672322
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[8,7-h]quinoline
CID 89517521
7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-6,19-diazapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5(10),6,8,12,15(20),16,18,21-undecaene
CID 89517526
7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)naphtho[2,3-f][4,7]phenanthroline
CID 89517527

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-pyridin-3-ylphenyl)pyridine;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine;3-(3,5-dipyridin-3-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine?
The IUPAC name of 3-(3-bromo-5-pyridin-3-ylphenyl)pyridine;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine;3-(3,5-dipyridin-3-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine (CID 158172100) is 3-(3-bromo-5-pyridin-3-ylphenyl)pyridine;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine;3-(3,5-dipyridin-3-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine.
What is the SMILES notation for 3-(3-bromo-5-pyridin-3-ylphenyl)pyridine;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine;3-(3,5-dipyridin-3-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine?
The canonical SMILES for 3-(3-bromo-5-pyridin-3-ylphenyl)pyridine;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine;3-(3,5-dipyridin-3-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine is Brc1cc(-c2cccnc2)cc(-c2cccnc2)c1.Cc1c2c(-c3ccccc3)nc3cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12.Cc1c2c(-c3ccccc3)nc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12.
What is the InChIKey of 3-(3-bromo-5-pyridin-3-ylphenyl)pyridine;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine;3-(3,5-dipyridin-3-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine?
The InChIKey is FXOREJQSCNDJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4.C40H35BN2O2.C16H11BrN2/c1-31-45-41-19-9-10-20-43(41)53-49(33-13-5-3-6-14-33)47(45)32(2)46-42-22-21-35(28-44(42)54-50(48(31)46)34-15-7-4-8-16-34)38-25-39(36-17-11-23-51-29-36)27-40(26-38)37-18-12-24-52-30-37;1-24-33-29-19-13-14-20-31(29)42-37(26-15-9-7-10-16-26)35(33)25(2)34-30-22-21-28(41-44-39(3,4)40(5,6)45-41)23-32(30)43-38(36(24)34)27-17-11-8-12-18-27;17-16-8-14(12-3-1-5-18-10-12)7-15(9-16)13-4-2-6-19-11-13/h3-30H,1-2H3;7-23H,1-6H3;1-11H.
What are the key properties of 3-(3-bromo-5-pyridin-3-ylphenyl)pyridine;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine;3-(3,5-dipyridin-3-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine?
3-(3-bromo-5-pyridin-3-ylphenyl)pyridine;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine;3-(3,5-dipyridin-3-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine has a molecular weight of 1588.58 g/mol, XLogP of 26.74, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-pyridin-3-ylphenyl)pyridine;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine;3-(3,5-dipyridin-3-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine is sourced from PubChem (CID 158172100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).