1-bromo-4-iodobenzene;2-[3-[3-(4-bromophenyl)phenyl]phenyl]-4-phenylquinazoline;4-phenyl-2-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]quinazoline

C70H54BBr2IN4O2 — CID 161233882

IUPAC1-bromo-4-iodobenzene;2-[3-[3-(4-bromophenyl)phenyl]phenyl]-4-phenylquinazoline;4-phenyl-2-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]quinazoline
SMILESBrc1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)c5ccccc5n4)c3)c2)cc1.Brc1ccc(I)cc1.CC1(C)OB(c2cccc(-c3cccc(-c4nc(-c5ccccc5)c5ccccc5n4)c3)c2)OC1(C)C
InChIInChI=1S/C32H29BN2O2.C32H21BrN2.C6H4BrI/c1-31(2)32(3,4)37-33(36-31)26-17-11-15-24(21-26)23-14-10-16-25(20-23)30-34-28-19-9-8-18-27(28)29(35-30)22-12-6-5-7-13-22;33-28-18-16-22(17-19-28)24-10-6-11-25(20-24)26-12-7-13-27(21-26)32-34-30-15-5-4-14-29(30)31(35-32)23-8-2-1-3-9-23;7-5-1-3-6(8)4-2-5/h5-21H,1-4H3;1-21H;1-4H
InChIKeyUZCOOBJZJTXUBD-UHFFFAOYSA-N
MW1280.75 g/mol
LogP19.04
Rot. Bonds8

About 1-bromo-4-iodobenzene;2-[3-[3-(4-bromophenyl)phenyl]phenyl]-4-phenylquinazoline;4-phenyl-2-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]quinazoline

1-bromo-4-iodobenzene;2-[3-[3-(4-bromophenyl)phenyl]phenyl]-4-phenylquinazoline;4-phenyl-2-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]quinazoline (PubChem CID 161233882) has the molecular formula C70H54BBr2IN4O2 and a molecular weight of 1280.75 g/mol. Its IUPAC name is 1-bromo-4-iodobenzene;2-[3-[3-(4-bromophenyl)phenyl]phenyl]-4-phenylquinazoline;4-phenyl-2-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]quinazoline.

Molecular Properties

Compound Name1-bromo-4-iodobenzene;2-[3-[3-(4-bromophenyl)phenyl]phenyl]-4-phenylquinazoline;4-phenyl-2-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]quinazoline
PubChem CID161233882
Molecular FormulaC70H54BBr2IN4O2
Molecular Weight1280.75 g/mol
Exact Mass1278.18
IUPAC Name1-bromo-4-iodobenzene;2-[3-[3-(4-bromophenyl)phenyl]phenyl]-4-phenylquinazoline;4-phenyl-2-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]quinazoline
SMILESBrc1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)c5ccccc5n4)c3)c2)cc1.Brc1ccc(I)cc1.CC1(C)OB(c2cccc(-c3cccc(-c4nc(-c5ccccc5)c5ccccc5n4)c3)c2)OC1(C)C
InChIInChI=1S/C32H29BN2O2.C32H21BrN2.C6H4BrI/c1-31(2)32(3,4)37-33(36-31)26-17-11-15-24(21-26)23-14-10-16-25(20-23)30-34-28-19-9-8-18-27(28)29(35-30)22-12-6-5-7-13-22;33-28-18-16-22(17-19-28)24-10-6-11-25(20-24)26-12-7-13-27(21-26)32-34-30-15-5-4-14-29(30)31(35-32)23-8-2-1-3-9-23;7-5-1-3-6(8)4-2-5/h5-21H,1-4H3;1-21H;1-4H
InChIKeyUZCOOBJZJTXUBD-UHFFFAOYSA-N
XLogP19.04
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001280.75
LogP ≤ 519.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-bromo-4-iodobenzene;2-[3-[3-(4-bromophenyl)phenyl]phenyl]-4-phenylquinazoline;4-phenyl-2-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]quinazoline with MolForge

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Related Compounds

2,6,8-Tri(4-bromophenyl)-1,3,7-triazapyrene
CID 129795946
4,13-Bis(4-bromophenyl)-3,5,12,14-tetrazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene
CID 59715567
16-[4,6-Bis(4-bromophenyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-5,10-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene
CID 68169091
6-(4-Bromophenyl)-12,14-diphenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene
CID 68171006
CID 88957715
CID 88957715
2-(4-Bromophenyl)-4-(3-phenylphenyl)quinazoline
CID 117684208
2-(4-Bromophenyl)-4-(3,5-diphenylphenyl)quinazoline
CID 117692987
2-(3-Bromophenyl)-4-(3,5-diphenylphenyl)quinazoline
CID 117692989
2-[3-[3-[3-(4,6-Diphenylpyrimidin-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 123552382
16-[4-(5-Bromohexa-2,4-dien-2-yl)-6-(4-bromophenyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-5,10-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene
CID 123575143
2-(4-Bromophenyl)-4-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)quinazoline
CID 134285470
3-[4-(4-Bromophenyl)quinazolin-2-yl]-9-phenylcarbazole
CID 139327746

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-iodobenzene;2-[3-[3-(4-bromophenyl)phenyl]phenyl]-4-phenylquinazoline;4-phenyl-2-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]quinazoline?
The IUPAC name of 1-bromo-4-iodobenzene;2-[3-[3-(4-bromophenyl)phenyl]phenyl]-4-phenylquinazoline;4-phenyl-2-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]quinazoline (CID 161233882) is 1-bromo-4-iodobenzene;2-[3-[3-(4-bromophenyl)phenyl]phenyl]-4-phenylquinazoline;4-phenyl-2-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]quinazoline.
What is the SMILES notation for 1-bromo-4-iodobenzene;2-[3-[3-(4-bromophenyl)phenyl]phenyl]-4-phenylquinazoline;4-phenyl-2-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]quinazoline?
The canonical SMILES for 1-bromo-4-iodobenzene;2-[3-[3-(4-bromophenyl)phenyl]phenyl]-4-phenylquinazoline;4-phenyl-2-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]quinazoline is Brc1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)c5ccccc5n4)c3)c2)cc1.Brc1ccc(I)cc1.CC1(C)OB(c2cccc(-c3cccc(-c4nc(-c5ccccc5)c5ccccc5n4)c3)c2)OC1(C)C.
What is the InChIKey of 1-bromo-4-iodobenzene;2-[3-[3-(4-bromophenyl)phenyl]phenyl]-4-phenylquinazoline;4-phenyl-2-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]quinazoline?
The InChIKey is UZCOOBJZJTXUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29BN2O2.C32H21BrN2.C6H4BrI/c1-31(2)32(3,4)37-33(36-31)26-17-11-15-24(21-26)23-14-10-16-25(20-23)30-34-28-19-9-8-18-27(28)29(35-30)22-12-6-5-7-13-22;33-28-18-16-22(17-19-28)24-10-6-11-25(20-24)26-12-7-13-27(21-26)32-34-30-15-5-4-14-29(30)31(35-32)23-8-2-1-3-9-23;7-5-1-3-6(8)4-2-5/h5-21H,1-4H3;1-21H;1-4H.
What are the key properties of 1-bromo-4-iodobenzene;2-[3-[3-(4-bromophenyl)phenyl]phenyl]-4-phenylquinazoline;4-phenyl-2-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]quinazoline?
1-bromo-4-iodobenzene;2-[3-[3-(4-bromophenyl)phenyl]phenyl]-4-phenylquinazoline;4-phenyl-2-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]quinazoline has a molecular weight of 1280.75 g/mol, XLogP of 19.04, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-iodobenzene;2-[3-[3-(4-bromophenyl)phenyl]phenyl]-4-phenylquinazoline;4-phenyl-2-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]quinazoline is sourced from PubChem (CID 161233882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).