2-(3,5-diphenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline;2-phenanthren-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline;2-phenyl-4-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinazoline

C108H93B3N6O6 — CID 157367517

IUPAC2-(3,5-diphenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline;2-phenanthren-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline;2-phenyl-4-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinazoline
SMILESCC1(C)OB(c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc4ccccc34)cc2)OC1(C)C.CC1(C)OB(c2ccc(-c3nc(-c4ccc5c(ccc6ccccc65)c4)nc4ccccc34)cc2)OC1(C)C.CC1(C)OB(c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc5c4ccc4ccccc45)c3)c2)OC1(C)C
InChIInChI=1S/C38H33BN2O2.C36H31BN2O2.C34H29BN2O2/c1-37(2)38(3,4)43-39(42-37)32-21-19-28(20-22-32)35-33-17-11-12-18-34(33)40-36(41-35)31-24-29(26-13-7-5-8-14-26)23-30(25-31)27-15-9-6-10-16-27;1-35(2)36(3,4)41-37(40-35)29-18-11-16-27(23-29)26-15-10-17-28(22-26)32-31-21-20-24-12-8-9-19-30(24)33(31)39-34(38-32)25-13-6-5-7-14-25;1-33(2)34(3,4)39-35(38-33)26-18-15-23(16-19-26)31-29-11-7-8-12-30(29)36-32(37-31)25-17-20-28-24(21-25)14-13-22-9-5-6-10-27(22)28/h5-25H,1-4H3;5-23H,1-4H3;5-21H,1-4H3
InChIKeyBJJCWZRUIMBDFA-UHFFFAOYSA-N
MW1603.40 g/mol
LogP24.25
Rot. Bonds12

About 2-(3,5-diphenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline;2-phenanthren-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline;2-phenyl-4-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinazoline

2-(3,5-diphenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline;2-phenanthren-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline;2-phenyl-4-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinazoline (PubChem CID 157367517) has the molecular formula C108H93B3N6O6 and a molecular weight of 1603.40 g/mol. Its IUPAC name is 2-(3,5-diphenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline;2-phenanthren-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline;2-phenyl-4-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinazoline.

Molecular Properties

Compound Name2-(3,5-diphenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline;2-phenanthren-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline;2-phenyl-4-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinazoline
PubChem CID157367517
Molecular FormulaC108H93B3N6O6
Molecular Weight1603.40 g/mol
Exact Mass1602.74
IUPAC Name2-(3,5-diphenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline;2-phenanthren-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline;2-phenyl-4-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinazoline
SMILESCC1(C)OB(c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc4ccccc34)cc2)OC1(C)C.CC1(C)OB(c2ccc(-c3nc(-c4ccc5c(ccc6ccccc65)c4)nc4ccccc34)cc2)OC1(C)C.CC1(C)OB(c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc5c4ccc4ccccc45)c3)c2)OC1(C)C
InChIInChI=1S/C38H33BN2O2.C36H31BN2O2.C34H29BN2O2/c1-37(2)38(3,4)43-39(42-37)32-21-19-28(20-22-32)35-33-17-11-12-18-34(33)40-36(41-35)31-24-29(26-13-7-5-8-14-26)23-30(25-31)27-15-9-6-10-16-27;1-35(2)36(3,4)41-37(40-35)29-18-11-16-27(23-29)26-15-10-17-28(22-26)32-31-21-20-24-12-8-9-19-30(24)33(31)39-34(38-32)25-13-6-5-7-14-25;1-33(2)34(3,4)39-35(38-33)26-18-15-23(16-19-26)31-29-11-7-8-12-30(29)36-32(37-31)25-17-20-28-24(21-25)14-13-22-9-5-6-10-27(22)28/h5-25H,1-4H3;5-23H,1-4H3;5-21H,1-4H3
InChIKeyBJJCWZRUIMBDFA-UHFFFAOYSA-N
XLogP24.25
TPSA132.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001603.40
LogP ≤ 524.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-(3,5-diphenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline;2-phenanthren-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline;2-phenyl-4-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinazoline with MolForge

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Related Compounds

3-[4-(4,6-Diphenylpyrimidin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine
CID 134591837
3-[3-(4,6-Diphenylpyrimidin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine
CID 134595915
3-(4,6-Diphenylpyrimidin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine
CID 134595960
3-[4-(4,6-Diphenylpyrimidin-2-yl)phenyl]-6-(4-fluorophenyl)benzo[k]phenanthridine
CID 138605630
18-[4-(4,6-Diphenylpyrimidin-2-yl)phenyl]-22-[4-(4-fluorophenyl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene
CID 145741124
18-(4,6-Diphenylpyrimidin-2-yl)-22-(4-fluorophenyl)-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene
CID 145741131
18-[4-(4,6-Diphenylpyrimidin-2-yl)phenyl]-22-(4-fluorophenyl)-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene
CID 145741169
18-[3-(4,6-Diphenylpyrimidin-2-yl)phenyl]-22-(4-fluorophenyl)-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene
CID 145741172
18-[4-(4,6-Diphenylpyrimidin-2-yl)phenyl]-22-(4-fluoronaphthalen-1-yl)-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene
CID 145741186
18-[3-[3-(4,6-Diphenylpyrimidin-2-yl)phenyl]phenyl]-22-(4-fluorophenyl)-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene
CID 145741192
18-[4-[3-(4,6-Diphenylpyrimidin-2-yl)phenyl]phenyl]-22-(4-fluorophenyl)-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene
CID 145741194
2-Chloro-4,6-diphenylpyrimidine;2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenylpyrimidine;4,4,5,5-tetramethyl-2-[4-[1,1,1-trifluoro-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane
CID 160453245

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline;2-phenanthren-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline;2-phenyl-4-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinazoline?
The IUPAC name of 2-(3,5-diphenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline;2-phenanthren-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline;2-phenyl-4-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinazoline (CID 157367517) is 2-(3,5-diphenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline;2-phenanthren-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline;2-phenyl-4-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinazoline.
What is the SMILES notation for 2-(3,5-diphenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline;2-phenanthren-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline;2-phenyl-4-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinazoline?
The canonical SMILES for 2-(3,5-diphenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline;2-phenanthren-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline;2-phenyl-4-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinazoline is CC1(C)OB(c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc4ccccc34)cc2)OC1(C)C.CC1(C)OB(c2ccc(-c3nc(-c4ccc5c(ccc6ccccc65)c4)nc4ccccc34)cc2)OC1(C)C.CC1(C)OB(c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc5c4ccc4ccccc45)c3)c2)OC1(C)C.
What is the InChIKey of 2-(3,5-diphenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline;2-phenanthren-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline;2-phenyl-4-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinazoline?
The InChIKey is BJJCWZRUIMBDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33BN2O2.C36H31BN2O2.C34H29BN2O2/c1-37(2)38(3,4)43-39(42-37)32-21-19-28(20-22-32)35-33-17-11-12-18-34(33)40-36(41-35)31-24-29(26-13-7-5-8-14-26)23-30(25-31)27-15-9-6-10-16-27;1-35(2)36(3,4)41-37(40-35)29-18-11-16-27(23-29)26-15-10-17-28(22-26)32-31-21-20-24-12-8-9-19-30(24)33(31)39-34(38-32)25-13-6-5-7-14-25;1-33(2)34(3,4)39-35(38-33)26-18-15-23(16-19-26)31-29-11-7-8-12-30(29)36-32(37-31)25-17-20-28-24(21-25)14-13-22-9-5-6-10-27(22)28/h5-25H,1-4H3;5-23H,1-4H3;5-21H,1-4H3.
What are the key properties of 2-(3,5-diphenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline;2-phenanthren-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline;2-phenyl-4-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinazoline?
2-(3,5-diphenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline;2-phenanthren-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline;2-phenyl-4-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinazoline has a molecular weight of 1603.40 g/mol, XLogP of 24.25, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenylphenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline;2-phenanthren-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline;2-phenyl-4-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinazoline is sourced from PubChem (CID 157367517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).