1-bromo-2-iodobenzene;2-[4-[4-(2-bromophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]aniline

C78H54Br2IN7 — CID 158874514

IUPAC1-bromo-2-iodobenzene;2-[4-[4-(2-bromophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]aniline
SMILESBrc1ccccc1-c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.Brc1ccccc1I.Nc1ccccc1-c1ccccc1-c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C39H28N4.C33H22BrN3.C6H4BrI/c40-36-18-10-9-17-35(36)34-16-8-7-15-33(34)29-23-19-27(20-24-29)28-21-25-32(26-22-28)39-42-37(30-11-3-1-4-12-30)41-38(43-39)31-13-5-2-6-14-31;34-30-14-8-7-13-29(30)25-19-15-23(16-20-25)24-17-21-28(22-18-24)33-36-31(26-9-3-1-4-10-26)35-32(37-33)27-11-5-2-6-12-27;7-5-3-1-2-4-6(5)8/h1-26H,40H2;1-22H;1-4H
InChIKeyJCGNTLNZGNBTMK-UHFFFAOYSA-N
MW1376.05 g/mol
LogP21.48
Rot. Bonds11

About 1-bromo-2-iodobenzene;2-[4-[4-(2-bromophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]aniline

1-bromo-2-iodobenzene;2-[4-[4-(2-bromophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]aniline (PubChem CID 158874514) has the molecular formula C78H54Br2IN7 and a molecular weight of 1376.05 g/mol. Its IUPAC name is 1-bromo-2-iodobenzene;2-[4-[4-(2-bromophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]aniline.

Molecular Properties

Compound Name1-bromo-2-iodobenzene;2-[4-[4-(2-bromophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]aniline
PubChem CID158874514
Molecular FormulaC78H54Br2IN7
Molecular Weight1376.05 g/mol
Exact Mass1373.19
IUPAC Name1-bromo-2-iodobenzene;2-[4-[4-(2-bromophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]aniline
SMILESBrc1ccccc1-c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.Brc1ccccc1I.Nc1ccccc1-c1ccccc1-c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C39H28N4.C33H22BrN3.C6H4BrI/c40-36-18-10-9-17-35(36)34-16-8-7-15-33(34)29-23-19-27(20-24-29)28-21-25-32(26-22-28)39-42-37(30-11-3-1-4-12-30)41-38(43-39)31-13-5-2-6-14-31;34-30-14-8-7-13-29(30)25-19-15-23(16-20-25)24-17-21-28(22-18-24)33-36-31(26-9-3-1-4-10-26)35-32(37-33)27-11-5-2-6-12-27;7-5-3-1-2-4-6(5)8/h1-26H,40H2;1-22H;1-4H
InChIKeyJCGNTLNZGNBTMK-UHFFFAOYSA-N
XLogP21.48
TPSA103.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001376.05
LogP ≤ 521.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-bromo-2-iodobenzene;2-[4-[4-(2-bromophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]aniline with MolForge

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Related Compounds

2-(2-bromophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155151393
2-(2-bromophenyl)-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine
CID 163296684
2-(2,4-diphenylphenyl)aniline
CID 163426287
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-phenyl-4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052601
2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052388
2,4-bis[4-(2-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052493
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052536
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052556
2-[2-(2-aminophenyl)phenyl]aniline;4-[4-(4-aminophenyl)phenyl]aniline
CID 161385819
5-(2-bromophenyl)-4,6-dichloro-2-phenylpyrimidine
CID 79435454
2,4-diphenyl-6-[4-[3-[6-phenyl-2-[3-(2-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-[6-phenyl-2-[4-(2-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 163852198
4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-amine
CID 22352251

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-iodobenzene;2-[4-[4-(2-bromophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]aniline?
The IUPAC name of 1-bromo-2-iodobenzene;2-[4-[4-(2-bromophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]aniline (CID 158874514) is 1-bromo-2-iodobenzene;2-[4-[4-(2-bromophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]aniline.
What is the SMILES notation for 1-bromo-2-iodobenzene;2-[4-[4-(2-bromophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]aniline?
The canonical SMILES for 1-bromo-2-iodobenzene;2-[4-[4-(2-bromophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]aniline is Brc1ccccc1-c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.Brc1ccccc1I.Nc1ccccc1-c1ccccc1-c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 1-bromo-2-iodobenzene;2-[4-[4-(2-bromophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]aniline?
The InChIKey is JCGNTLNZGNBTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28N4.C33H22BrN3.C6H4BrI/c40-36-18-10-9-17-35(36)34-16-8-7-15-33(34)29-23-19-27(20-24-29)28-21-25-32(26-22-28)39-42-37(30-11-3-1-4-12-30)41-38(43-39)31-13-5-2-6-14-31;34-30-14-8-7-13-29(30)25-19-15-23(16-20-25)24-17-21-28(22-18-24)33-36-31(26-9-3-1-4-10-26)35-32(37-33)27-11-5-2-6-12-27;7-5-3-1-2-4-6(5)8/h1-26H,40H2;1-22H;1-4H.
What are the key properties of 1-bromo-2-iodobenzene;2-[4-[4-(2-bromophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]aniline?
1-bromo-2-iodobenzene;2-[4-[4-(2-bromophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]aniline has a molecular weight of 1376.05 g/mol, XLogP of 21.48, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-iodobenzene;2-[4-[4-(2-bromophenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]aniline is sourced from PubChem (CID 158874514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).