2-[3-chloro-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole;dibenzofuran-4-ylboronic acid;2-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole

C108H70BClN4O4 — CID 157481484

IUPAC2-[3-chloro-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole;dibenzofuran-4-ylboronic acid;2-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole
SMILESClc1cc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c1.OB(O)c1cccc2c1oc1ccccc12.c1ccc(-n2c3ccccc3c3ccc(-c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc(-c5cccc6c5oc5ccccc56)c4)cc32)cc1
InChIInChI=1S/C54H34N2O.C42H27ClN2.C12H9BO3/c1-3-14-40(15-4-1)55-49-23-10-7-18-43(49)45-28-26-35(33-51(45)55)37-30-38(32-39(31-37)42-21-13-22-48-47-20-9-12-25-53(47)57-54(42)48)36-27-29-46-44-19-8-11-24-50(44)56(52(46)34-36)41-16-5-2-6-17-41;43-32-24-30(28-19-21-37-35-15-7-9-17-39(35)44(41(37)26-28)33-11-3-1-4-12-33)23-31(25-32)29-20-22-38-36-16-8-10-18-40(36)45(42(38)27-29)34-13-5-2-6-14-34;14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10/h1-34H;1-27H;1-7,14-15H
InChIKeyBWFDOEHGXKPQKD-UHFFFAOYSA-N
MW1534.04 g/mol
LogP27.92
Rot. Bonds10

About 2-[3-chloro-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole;dibenzofuran-4-ylboronic acid;2-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole

2-[3-chloro-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole;dibenzofuran-4-ylboronic acid;2-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole (PubChem CID 157481484) has the molecular formula C108H70BClN4O4 and a molecular weight of 1534.04 g/mol. Its IUPAC name is 2-[3-chloro-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole;dibenzofuran-4-ylboronic acid;2-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[3-chloro-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole;dibenzofuran-4-ylboronic acid;2-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole
PubChem CID157481484
Molecular FormulaC108H70BClN4O4
Molecular Weight1534.04 g/mol
Exact Mass1532.52
IUPAC Name2-[3-chloro-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole;dibenzofuran-4-ylboronic acid;2-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole
SMILESClc1cc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c1.OB(O)c1cccc2c1oc1ccccc12.c1ccc(-n2c3ccccc3c3ccc(-c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc(-c5cccc6c5oc5ccccc56)c4)cc32)cc1
InChIInChI=1S/C54H34N2O.C42H27ClN2.C12H9BO3/c1-3-14-40(15-4-1)55-49-23-10-7-18-43(49)45-28-26-35(33-51(45)55)37-30-38(32-39(31-37)42-21-13-22-48-47-20-9-12-25-53(47)57-54(42)48)36-27-29-46-44-19-8-11-24-50(44)56(52(46)34-36)41-16-5-2-6-17-41;43-32-24-30(28-19-21-37-35-15-7-9-17-39(35)44(41(37)26-28)33-11-3-1-4-12-33)23-31(25-32)29-20-22-38-36-16-8-10-18-40(36)45(42(38)27-29)34-13-5-2-6-14-34;14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10/h1-34H;1-27H;1-7,14-15H
InChIKeyBWFDOEHGXKPQKD-UHFFFAOYSA-N
XLogP27.92
TPSA86.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001534.04
LogP ≤ 527.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[3-chloro-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole;dibenzofuran-4-ylboronic acid;2-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole with MolForge

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Related Compounds

2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-phenylcarbazole
CID 122492294
2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122492307
2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 166509994
11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole
CID 126580169
2-[2-[3-bromo-5-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 122666247
2-[6-(3-chlorophenyl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 146820398
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
9-[3-(4-chlorophenyl)-5-dibenzofuran-4-ylphenyl]carbazole
CID 170273136
3-dibenzofuran-4-yl-N-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 121443723
[6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]boronic acid
CID 90125806
2-[9-(6-dibenzofuran-4-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole
CID 126753605
N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 118640922

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole;dibenzofuran-4-ylboronic acid;2-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole?
The IUPAC name of 2-[3-chloro-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole;dibenzofuran-4-ylboronic acid;2-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole (CID 157481484) is 2-[3-chloro-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole;dibenzofuran-4-ylboronic acid;2-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 2-[3-chloro-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole;dibenzofuran-4-ylboronic acid;2-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 2-[3-chloro-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole;dibenzofuran-4-ylboronic acid;2-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole is Clc1cc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c1.OB(O)c1cccc2c1oc1ccccc12.c1ccc(-n2c3ccccc3c3ccc(-c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc(-c5cccc6c5oc5ccccc56)c4)cc32)cc1.
What is the InChIKey of 2-[3-chloro-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole;dibenzofuran-4-ylboronic acid;2-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole?
The InChIKey is BWFDOEHGXKPQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O.C42H27ClN2.C12H9BO3/c1-3-14-40(15-4-1)55-49-23-10-7-18-43(49)45-28-26-35(33-51(45)55)37-30-38(32-39(31-37)42-21-13-22-48-47-20-9-12-25-53(47)57-54(42)48)36-27-29-46-44-19-8-11-24-50(44)56(52(46)34-36)41-16-5-2-6-17-41;43-32-24-30(28-19-21-37-35-15-7-9-17-39(35)44(41(37)26-28)33-11-3-1-4-12-33)23-31(25-32)29-20-22-38-36-16-8-10-18-40(36)45(42(38)27-29)34-13-5-2-6-14-34;14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10/h1-34H;1-27H;1-7,14-15H.
What are the key properties of 2-[3-chloro-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole;dibenzofuran-4-ylboronic acid;2-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole?
2-[3-chloro-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole;dibenzofuran-4-ylboronic acid;2-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole has a molecular weight of 1534.04 g/mol, XLogP of 27.92, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole;dibenzofuran-4-ylboronic acid;2-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 157481484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).