2-(4-bromophenyl)-4-phenylquinazoline;7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline

C72H54BBrN6O2 — CID 158075501

IUPAC2-(4-bromophenyl)-4-phenylquinazoline;7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline
SMILESBrc1ccc(-c2nc(-c3ccccc3)c3ccccc3n2)cc1.CC1(C)OB(c2cccc3c2ccc2cccnc23)OC1(C)C.c1ccc(-c2nc(-c3ccc(-c4cccc5c4ccc4cccnc45)cc3)nc3ccccc23)cc1
InChIInChI=1S/C33H21N3.C20H13BrN2.C19H20BNO2/c1-2-8-23(9-3-1)32-29-11-4-5-14-30(29)35-33(36-32)25-17-15-22(16-18-25)26-12-6-13-28-27(26)20-19-24-10-7-21-34-31(24)28;21-16-12-10-15(11-13-16)20-22-18-9-5-4-8-17(18)19(23-20)14-6-2-1-3-7-14;1-18(2)19(3,4)23-20(22-18)16-9-5-8-15-14(16)11-10-13-7-6-12-21-17(13)15/h1-21H;1-13H;5-12H,1-4H3
InChIKeyFMHXTDHQPWMLBQ-UHFFFAOYSA-N
MW1125.98 g/mol
LogP17.75
Rot. Bonds6

About 2-(4-bromophenyl)-4-phenylquinazoline;7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline

2-(4-bromophenyl)-4-phenylquinazoline;7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline (PubChem CID 158075501) has the molecular formula C72H54BBrN6O2 and a molecular weight of 1125.98 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-phenylquinazoline;7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-phenylquinazoline;7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline
PubChem CID158075501
Molecular FormulaC72H54BBrN6O2
Molecular Weight1125.98 g/mol
Exact Mass1124.36
IUPAC Name2-(4-bromophenyl)-4-phenylquinazoline;7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline
SMILESBrc1ccc(-c2nc(-c3ccccc3)c3ccccc3n2)cc1.CC1(C)OB(c2cccc3c2ccc2cccnc23)OC1(C)C.c1ccc(-c2nc(-c3ccc(-c4cccc5c4ccc4cccnc45)cc3)nc3ccccc23)cc1
InChIInChI=1S/C33H21N3.C20H13BrN2.C19H20BNO2/c1-2-8-23(9-3-1)32-29-11-4-5-14-30(29)35-33(36-32)25-17-15-22(16-18-25)26-12-6-13-28-27(26)20-19-24-10-7-21-34-31(24)28;21-16-12-10-15(11-13-16)20-22-18-9-5-4-8-17(18)19(23-20)14-6-2-1-3-7-14;1-18(2)19(3,4)23-20(22-18)16-9-5-8-15-14(16)11-10-13-7-6-12-21-17(13)15/h1-21H;1-13H;5-12H,1-4H3
InChIKeyFMHXTDHQPWMLBQ-UHFFFAOYSA-N
XLogP17.75
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001125.98
LogP ≤ 517.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(4-bromophenyl)-4-phenylquinazoline;7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline with MolForge

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Related Compounds

2,4-bis(4-quinolin-8-ylphenyl)quinazoline;2,4-dichloroquinazoline;8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline
CID 158569015
2-[4-(4-bromophenyl)naphthalen-1-yl]-4-phenylquinazoline;4-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]quinazoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 161203620
4-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]quinazoline
CID 148867825
6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline
CID 152916568
2-(4-bromophenyl)-4-phenylquinazoline
CID 11325886
7-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline
CID 153156483
7-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline
CID 155792487
7-[4-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline
CID 152912532
7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]quinoline
CID 155792694
4,4,5,5-tetramethyl-2-(5-naphthalen-2-ylnaphthalen-1-yl)-1,3,2-dioxaborolane
CID 176598740
4-(3-phenanthren-2-ylphenyl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline
CID 163926307
1-(4-bromophenyl)-6-phenylpyrene;1,4-dibromobenzene;4,4,5,5-tetramethyl-2-(6-phenylpyren-1-yl)-1,3,2-dioxaborolane
CID 158526891

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-phenylquinazoline;7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline?
The IUPAC name of 2-(4-bromophenyl)-4-phenylquinazoline;7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline (CID 158075501) is 2-(4-bromophenyl)-4-phenylquinazoline;7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline.
What is the SMILES notation for 2-(4-bromophenyl)-4-phenylquinazoline;7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline?
The canonical SMILES for 2-(4-bromophenyl)-4-phenylquinazoline;7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline is Brc1ccc(-c2nc(-c3ccccc3)c3ccccc3n2)cc1.CC1(C)OB(c2cccc3c2ccc2cccnc23)OC1(C)C.c1ccc(-c2nc(-c3ccc(-c4cccc5c4ccc4cccnc45)cc3)nc3ccccc23)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4-phenylquinazoline;7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline?
The InChIKey is FMHXTDHQPWMLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N3.C20H13BrN2.C19H20BNO2/c1-2-8-23(9-3-1)32-29-11-4-5-14-30(29)35-33(36-32)25-17-15-22(16-18-25)26-12-6-13-28-27(26)20-19-24-10-7-21-34-31(24)28;21-16-12-10-15(11-13-16)20-22-18-9-5-4-8-17(18)19(23-20)14-6-2-1-3-7-14;1-18(2)19(3,4)23-20(22-18)16-9-5-8-15-14(16)11-10-13-7-6-12-21-17(13)15/h1-21H;1-13H;5-12H,1-4H3.
What are the key properties of 2-(4-bromophenyl)-4-phenylquinazoline;7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline?
2-(4-bromophenyl)-4-phenylquinazoline;7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline has a molecular weight of 1125.98 g/mol, XLogP of 17.75, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-phenylquinazoline;7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[h]quinoline;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline is sourced from PubChem (CID 158075501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).