aniline;3-benzyl-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-bromo-9H-carbazole;3-bromo-9-(4-dibenzofuran-4-ylphenyl)carbazole;1-bromo-4-(4-ethenylphenyl)benzene;dibenzofuran-4-ylboronic acid;1-fluoro-4-iodobenzene;4-(4-fluorophenyl)dibenzofuran

C135H93BBr3F2IN4O6 — CID 158298318

IUPACaniline;3-benzyl-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-bromo-9H-carbazole;3-bromo-9-(4-dibenzofuran-4-ylphenyl)carbazole;1-bromo-4-(4-ethenylphenyl)benzene;dibenzofuran-4-ylboronic acid;1-fluoro-4-iodobenzene;4-(4-fluorophenyl)dibenzofuran
SMILESBrc1ccc2[nH]c3ccccc3c2c1.Brc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cccc3c2oc2ccccc23)cc1.C=Cc1ccc(-c2ccc(Br)cc2)cc1.Fc1ccc(-c2cccc3c2oc2ccccc23)cc1.Fc1ccc(I)cc1.Nc1ccccc1.OB(O)c1cccc2c1oc1ccccc12.c1ccc(Cc2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C37H25NO.C30H18BrNO.C18H11FO.C14H11Br.C12H9BO3.C12H8BrN.C6H4FI.C6H7N/c1-2-9-25(10-3-1)23-26-17-22-35-33(24-26)30-11-4-6-15-34(30)38(35)28-20-18-27(19-21-28)29-13-8-14-32-31-12-5-7-16-36(31)39-37(29)32;31-20-14-17-28-26(18-20)23-6-1-3-10-27(23)32(28)21-15-12-19(13-16-21)22-8-5-9-25-24-7-2-4-11-29(24)33-30(22)25;19-13-10-8-12(9-11-13)14-5-3-6-16-15-4-1-2-7-17(15)20-18(14)16;1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13;14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10;13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;7-5-1-3-6(8)4-2-5;7-6-4-2-1-3-5-6/h1-22,24H,23H2;1-18H;1-11H;2-10H,1H2;1-7,14-15H;1-7,14H;1-4H;1-5H,7H2
InChIKeyGMENLTRHZDINNM-UHFFFAOYSA-N
MW2282.67 g/mol
LogP38.25
Rot. Bonds10

About aniline;3-benzyl-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-bromo-9H-carbazole;3-bromo-9-(4-dibenzofuran-4-ylphenyl)carbazole;1-bromo-4-(4-ethenylphenyl)benzene;dibenzofuran-4-ylboronic acid;1-fluoro-4-iodobenzene;4-(4-fluorophenyl)dibenzofuran

aniline;3-benzyl-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-bromo-9H-carbazole;3-bromo-9-(4-dibenzofuran-4-ylphenyl)carbazole;1-bromo-4-(4-ethenylphenyl)benzene;dibenzofuran-4-ylboronic acid;1-fluoro-4-iodobenzene;4-(4-fluorophenyl)dibenzofuran (PubChem CID 158298318) has the molecular formula C135H93BBr3F2IN4O6 and a molecular weight of 2282.67 g/mol. Its IUPAC name is aniline;3-benzyl-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-bromo-9H-carbazole;3-bromo-9-(4-dibenzofuran-4-ylphenyl)carbazole;1-bromo-4-(4-ethenylphenyl)benzene;dibenzofuran-4-ylboronic acid;1-fluoro-4-iodobenzene;4-(4-fluorophenyl)dibenzofuran.

Molecular Properties

Compound Nameaniline;3-benzyl-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-bromo-9H-carbazole;3-bromo-9-(4-dibenzofuran-4-ylphenyl)carbazole;1-bromo-4-(4-ethenylphenyl)benzene;dibenzofuran-4-ylboronic acid;1-fluoro-4-iodobenzene;4-(4-fluorophenyl)dibenzofuran
PubChem CID158298318
Molecular FormulaC135H93BBr3F2IN4O6
Molecular Weight2282.67 g/mol
Exact Mass2278.38
IUPAC Nameaniline;3-benzyl-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-bromo-9H-carbazole;3-bromo-9-(4-dibenzofuran-4-ylphenyl)carbazole;1-bromo-4-(4-ethenylphenyl)benzene;dibenzofuran-4-ylboronic acid;1-fluoro-4-iodobenzene;4-(4-fluorophenyl)dibenzofuran
SMILESBrc1ccc2[nH]c3ccccc3c2c1.Brc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cccc3c2oc2ccccc23)cc1.C=Cc1ccc(-c2ccc(Br)cc2)cc1.Fc1ccc(-c2cccc3c2oc2ccccc23)cc1.Fc1ccc(I)cc1.Nc1ccccc1.OB(O)c1cccc2c1oc1ccccc12.c1ccc(Cc2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C37H25NO.C30H18BrNO.C18H11FO.C14H11Br.C12H9BO3.C12H8BrN.C6H4FI.C6H7N/c1-2-9-25(10-3-1)23-26-17-22-35-33(24-26)30-11-4-6-15-34(30)38(35)28-20-18-27(19-21-28)29-13-8-14-32-31-12-5-7-16-36(31)39-37(29)32;31-20-14-17-28-26(18-20)23-6-1-3-10-27(23)32(28)21-15-12-19(13-16-21)22-8-5-9-25-24-7-2-4-11-29(24)33-30(22)25;19-13-10-8-12(9-11-13)14-5-3-6-16-15-4-1-2-7-17(15)20-18(14)16;1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13;14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10;13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;7-5-1-3-6(8)4-2-5;7-6-4-2-1-3-5-6/h1-22,24H,23H2;1-18H;1-11H;2-10H,1H2;1-7,14-15H;1-7,14H;1-4H;1-5H,7H2
InChIKeyGMENLTRHZDINNM-UHFFFAOYSA-N
XLogP38.25
TPSA144.69 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002282.67
LogP ≤ 538.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze aniline;3-benzyl-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-bromo-9H-carbazole;3-bromo-9-(4-dibenzofuran-4-ylphenyl)carbazole;1-bromo-4-(4-ethenylphenyl)benzene;dibenzofuran-4-ylboronic acid;1-fluoro-4-iodobenzene;4-(4-fluorophenyl)dibenzofuran with MolForge

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Related Compounds

aniline;1-bromo-4-iodobenzene;4-(4-bromophenyl)dibenzofuran;dibenzofuran-4-ylboronic acid;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;palladium;1-phenyl-3-(3-phenylphenyl)benzene;tetrakis(triphenylphosphane)
CID 160881465
3-benzyl-6-(6-benzyl-9-carbazol-9-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-carbazol-9-ylcarbazol-3-yl)-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-(9-carbazol-9-ylcarbazol-3-yl)-9-(3,5-diphenylphenyl)carbazole
CID 160862721
4-(4-bromophenyl)dibenzofuran;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 158714965
9-[4-(4-bromophenyl)phenyl]-3-(4-dibenzofuran-4-ylphenyl)carbazole
CID 118402480
9-(4-bromophenyl)carbazole;9-[4-(4-bromophenyl)phenyl]carbazole;9-[4-(4-bromophenyl)phenyl]-3-dibenzofuran-4-ylcarbazole;9-[4-(4-bromophenyl)phenyl]-3-iodocarbazole;(4-carbazol-9-ylphenyl)boronic acid;[4-(5-phenylthiophen-2-yl)phenyl]boronic acid
CID 160832433
3-bromo-6-dibenzofuran-4-yl-9-phenylcarbazole
CID 90089515
4-bromo-N-(4-bromophenyl)aniline;dibenzofuran-4-ylboronic acid;4-[4-[(4-dibenzofuran-4-ylphenyl)methyl]phenyl]dibenzofuran
CID 163907509
9-[4-(4-bromophenyl)phenyl]-3,6-di(dibenzofuran-4-yl)carbazole
CID 58536218
[6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]boronic acid
CID 90125806
[3-[3-(6-bromo-9-phenylcarbazol-2-yl)propyl]-6-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]boronic acid
CID 147931454
9-(4-dibenzofuran-4-ylphenyl)-3-[(9-phenyl-4b,8a-dihydrocarbazol-3-yl)methyl]carbazole
CID 155237382
16-(3-bromophenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;dibenzofuran-4-ylboronic acid;16-(3-dibenzofuran-4-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 158506973

Frequently Asked Questions

What is the IUPAC name of aniline;3-benzyl-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-bromo-9H-carbazole;3-bromo-9-(4-dibenzofuran-4-ylphenyl)carbazole;1-bromo-4-(4-ethenylphenyl)benzene;dibenzofuran-4-ylboronic acid;1-fluoro-4-iodobenzene;4-(4-fluorophenyl)dibenzofuran?
The IUPAC name of aniline;3-benzyl-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-bromo-9H-carbazole;3-bromo-9-(4-dibenzofuran-4-ylphenyl)carbazole;1-bromo-4-(4-ethenylphenyl)benzene;dibenzofuran-4-ylboronic acid;1-fluoro-4-iodobenzene;4-(4-fluorophenyl)dibenzofuran (CID 158298318) is aniline;3-benzyl-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-bromo-9H-carbazole;3-bromo-9-(4-dibenzofuran-4-ylphenyl)carbazole;1-bromo-4-(4-ethenylphenyl)benzene;dibenzofuran-4-ylboronic acid;1-fluoro-4-iodobenzene;4-(4-fluorophenyl)dibenzofuran.
What is the SMILES notation for aniline;3-benzyl-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-bromo-9H-carbazole;3-bromo-9-(4-dibenzofuran-4-ylphenyl)carbazole;1-bromo-4-(4-ethenylphenyl)benzene;dibenzofuran-4-ylboronic acid;1-fluoro-4-iodobenzene;4-(4-fluorophenyl)dibenzofuran?
The canonical SMILES for aniline;3-benzyl-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-bromo-9H-carbazole;3-bromo-9-(4-dibenzofuran-4-ylphenyl)carbazole;1-bromo-4-(4-ethenylphenyl)benzene;dibenzofuran-4-ylboronic acid;1-fluoro-4-iodobenzene;4-(4-fluorophenyl)dibenzofuran is Brc1ccc2[nH]c3ccccc3c2c1.Brc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cccc3c2oc2ccccc23)cc1.C=Cc1ccc(-c2ccc(Br)cc2)cc1.Fc1ccc(-c2cccc3c2oc2ccccc23)cc1.Fc1ccc(I)cc1.Nc1ccccc1.OB(O)c1cccc2c1oc1ccccc12.c1ccc(Cc2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of aniline;3-benzyl-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-bromo-9H-carbazole;3-bromo-9-(4-dibenzofuran-4-ylphenyl)carbazole;1-bromo-4-(4-ethenylphenyl)benzene;dibenzofuran-4-ylboronic acid;1-fluoro-4-iodobenzene;4-(4-fluorophenyl)dibenzofuran?
The InChIKey is GMENLTRHZDINNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25NO.C30H18BrNO.C18H11FO.C14H11Br.C12H9BO3.C12H8BrN.C6H4FI.C6H7N/c1-2-9-25(10-3-1)23-26-17-22-35-33(24-26)30-11-4-6-15-34(30)38(35)28-20-18-27(19-21-28)29-13-8-14-32-31-12-5-7-16-36(31)39-37(29)32;31-20-14-17-28-26(18-20)23-6-1-3-10-27(23)32(28)21-15-12-19(13-16-21)22-8-5-9-25-24-7-2-4-11-29(24)33-30(22)25;19-13-10-8-12(9-11-13)14-5-3-6-16-15-4-1-2-7-17(15)20-18(14)16;1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13;14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10;13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;7-5-1-3-6(8)4-2-5;7-6-4-2-1-3-5-6/h1-22,24H,23H2;1-18H;1-11H;2-10H,1H2;1-7,14-15H;1-7,14H;1-4H;1-5H,7H2.
What are the key properties of aniline;3-benzyl-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-bromo-9H-carbazole;3-bromo-9-(4-dibenzofuran-4-ylphenyl)carbazole;1-bromo-4-(4-ethenylphenyl)benzene;dibenzofuran-4-ylboronic acid;1-fluoro-4-iodobenzene;4-(4-fluorophenyl)dibenzofuran?
aniline;3-benzyl-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-bromo-9H-carbazole;3-bromo-9-(4-dibenzofuran-4-ylphenyl)carbazole;1-bromo-4-(4-ethenylphenyl)benzene;dibenzofuran-4-ylboronic acid;1-fluoro-4-iodobenzene;4-(4-fluorophenyl)dibenzofuran has a molecular weight of 2282.67 g/mol, XLogP of 38.25, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;3-benzyl-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-bromo-9H-carbazole;3-bromo-9-(4-dibenzofuran-4-ylphenyl)carbazole;1-bromo-4-(4-ethenylphenyl)benzene;dibenzofuran-4-ylboronic acid;1-fluoro-4-iodobenzene;4-(4-fluorophenyl)dibenzofuran is sourced from PubChem (CID 158298318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).