N-[4-(3-bromo-2-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-[2-phenyl-3-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline;(9-phenylcarbazol-3-yl)boronic acid

C132H90BBrN4O4 — CID 159035947

IUPACN-[4-(3-bromo-2-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-[2-phenyl-3-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline;(9-phenylcarbazol-3-yl)boronic acid
SMILESBrc1cccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)c1-c1ccccc1.OB(O)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C66H44N2O.C48H32BrNO.C18H14BNO2/c1-4-16-45(17-5-1)46-30-37-52(38-31-46)67(54-41-34-48(35-42-54)57-26-15-27-60-59-23-11-13-29-64(59)69-66(57)60)53-39-32-47(33-40-53)55-24-14-25-56(65(55)49-18-6-2-7-19-49)50-36-43-63-61(44-50)58-22-10-12-28-62(58)68(63)51-20-8-3-9-21-51;49-45-19-10-16-41(47(45)37-13-5-2-6-14-37)35-23-29-39(30-24-35)50(38-27-21-34(22-28-38)33-11-3-1-4-12-33)40-31-25-36(26-32-40)42-17-9-18-44-43-15-7-8-20-46(43)51-48(42)44;21-19(22)13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-44H;1-32H;1-12,21-22H
InChIKeyJVLOWCYHQSWXJW-UHFFFAOYSA-N
MW1886.91 g/mol
LogP35.44
Rot. Bonds18

About N-[4-(3-bromo-2-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-[2-phenyl-3-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline;(9-phenylcarbazol-3-yl)boronic acid

N-[4-(3-bromo-2-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-[2-phenyl-3-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline;(9-phenylcarbazol-3-yl)boronic acid (PubChem CID 159035947) has the molecular formula C132H90BBrN4O4 and a molecular weight of 1886.91 g/mol. Its IUPAC name is N-[4-(3-bromo-2-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-[2-phenyl-3-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline;(9-phenylcarbazol-3-yl)boronic acid.

Molecular Properties

Compound NameN-[4-(3-bromo-2-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-[2-phenyl-3-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline;(9-phenylcarbazol-3-yl)boronic acid
PubChem CID159035947
Molecular FormulaC132H90BBrN4O4
Molecular Weight1886.91 g/mol
Exact Mass1884.62
IUPAC NameN-[4-(3-bromo-2-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-[2-phenyl-3-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline;(9-phenylcarbazol-3-yl)boronic acid
SMILESBrc1cccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)c1-c1ccccc1.OB(O)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C66H44N2O.C48H32BrNO.C18H14BNO2/c1-4-16-45(17-5-1)46-30-37-52(38-31-46)67(54-41-34-48(35-42-54)57-26-15-27-60-59-23-11-13-29-64(59)69-66(57)60)53-39-32-47(33-40-53)55-24-14-25-56(65(55)49-18-6-2-7-19-49)50-36-43-63-61(44-50)58-22-10-12-28-62(58)68(63)51-20-8-3-9-21-51;49-45-19-10-16-41(47(45)37-13-5-2-6-14-37)35-23-29-39(30-24-35)50(38-27-21-34(22-28-38)33-11-3-1-4-12-33)40-31-25-36(26-32-40)42-17-9-18-44-43-15-7-8-20-46(43)51-48(42)44;21-19(22)13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-44H;1-32H;1-12,21-22H
InChIKeyJVLOWCYHQSWXJW-UHFFFAOYSA-N
XLogP35.44
TPSA83.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms142
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001886.91
LogP ≤ 535.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[4-(3-bromo-2-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-[2-phenyl-3-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline;(9-phenylcarbazol-3-yl)boronic acid with MolForge

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Related Compounds

5-[2,3-bis(6,9-diphenylcarbazol-3-yl)phenyl]-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;5-[2,3-bis(9-phenylcarbazol-3-yl)phenyl]-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;3-[3-[9-(4-dibenzofuran-4-ylphenyl)-6-phenylcarbazol-3-yl]-2-phenylphenyl]-N,N-bis(4-phenylphenyl)aniline
CID 158694692
N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 58510827
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163
4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline
CID 164786369
N-[4-[4-[4-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121443631
1-N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine
CID 118402476
N-[4-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 160835458
N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168804997
3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121443658
N-[4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N,9-diphenylcarbazol-3-amine;4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]anilino]phenyl]anilino]phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159314688
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]aniline
CID 88862471
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline
CID 58510633

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromo-2-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-[2-phenyl-3-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline;(9-phenylcarbazol-3-yl)boronic acid?
The IUPAC name of N-[4-(3-bromo-2-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-[2-phenyl-3-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline;(9-phenylcarbazol-3-yl)boronic acid (CID 159035947) is N-[4-(3-bromo-2-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-[2-phenyl-3-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline;(9-phenylcarbazol-3-yl)boronic acid.
What is the SMILES notation for N-[4-(3-bromo-2-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-[2-phenyl-3-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline;(9-phenylcarbazol-3-yl)boronic acid?
The canonical SMILES for N-[4-(3-bromo-2-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-[2-phenyl-3-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline;(9-phenylcarbazol-3-yl)boronic acid is Brc1cccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)c1-c1ccccc1.OB(O)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-[4-(3-bromo-2-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-[2-phenyl-3-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline;(9-phenylcarbazol-3-yl)boronic acid?
The InChIKey is JVLOWCYHQSWXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2O.C48H32BrNO.C18H14BNO2/c1-4-16-45(17-5-1)46-30-37-52(38-31-46)67(54-41-34-48(35-42-54)57-26-15-27-60-59-23-11-13-29-64(59)69-66(57)60)53-39-32-47(33-40-53)55-24-14-25-56(65(55)49-18-6-2-7-19-49)50-36-43-63-61(44-50)58-22-10-12-28-62(58)68(63)51-20-8-3-9-21-51;49-45-19-10-16-41(47(45)37-13-5-2-6-14-37)35-23-29-39(30-24-35)50(38-27-21-34(22-28-38)33-11-3-1-4-12-33)40-31-25-36(26-32-40)42-17-9-18-44-43-15-7-8-20-46(43)51-48(42)44;21-19(22)13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-44H;1-32H;1-12,21-22H.
What are the key properties of N-[4-(3-bromo-2-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-[2-phenyl-3-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline;(9-phenylcarbazol-3-yl)boronic acid?
N-[4-(3-bromo-2-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-[2-phenyl-3-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline;(9-phenylcarbazol-3-yl)boronic acid has a molecular weight of 1886.91 g/mol, XLogP of 35.44, 18 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromo-2-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-[2-phenyl-3-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline;(9-phenylcarbazol-3-yl)boronic acid is sourced from PubChem (CID 159035947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).