N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-methylphenyl)aniline;4-(4-bromophenyl)dibenzofuran;9-[4-(4-bromophenyl)phenyl]carbazole

C103H70Br2N4O — CID 159691144

IUPACN,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-methylphenyl)aniline;4-(4-bromophenyl)dibenzofuran;9-[4-(4-bromophenyl)phenyl]carbazole
SMILESBrc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.Brc1ccc(-c2cccc3c2oc2ccccc23)cc1.Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C61H43N3.C24H16BrN.C18H11BrO/c1-42-18-20-43(21-19-42)44-22-32-49(33-23-44)62(50-34-24-45(25-35-50)47-28-38-52(39-29-47)63-58-14-6-2-10-54(58)55-11-3-7-15-59(55)63)51-36-26-46(27-37-51)48-30-40-53(41-31-48)64-60-16-8-4-12-56(60)57-13-5-9-17-61(57)64;25-19-13-9-17(10-14-19)18-11-15-20(16-12-18)26-23-7-3-1-5-21(23)22-6-2-4-8-24(22)26;19-13-10-8-12(9-11-13)14-5-3-6-16-15-4-1-2-7-17(15)20-18(14)16/h2-41H,1H3;1-16H;1-11H
InChIKeyMWKUXINNLFSEKD-UHFFFAOYSA-N
MW1539.53 g/mol
LogP29.89
Rot. Bonds11

About N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-methylphenyl)aniline;4-(4-bromophenyl)dibenzofuran;9-[4-(4-bromophenyl)phenyl]carbazole

N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-methylphenyl)aniline;4-(4-bromophenyl)dibenzofuran;9-[4-(4-bromophenyl)phenyl]carbazole (PubChem CID 159691144) has the molecular formula C103H70Br2N4O and a molecular weight of 1539.53 g/mol. Its IUPAC name is N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-methylphenyl)aniline;4-(4-bromophenyl)dibenzofuran;9-[4-(4-bromophenyl)phenyl]carbazole.

Molecular Properties

Compound NameN,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-methylphenyl)aniline;4-(4-bromophenyl)dibenzofuran;9-[4-(4-bromophenyl)phenyl]carbazole
PubChem CID159691144
Molecular FormulaC103H70Br2N4O
Molecular Weight1539.53 g/mol
Exact Mass1536.39
IUPAC NameN,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-methylphenyl)aniline;4-(4-bromophenyl)dibenzofuran;9-[4-(4-bromophenyl)phenyl]carbazole
SMILESBrc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.Brc1ccc(-c2cccc3c2oc2ccccc23)cc1.Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C61H43N3.C24H16BrN.C18H11BrO/c1-42-18-20-43(21-19-42)44-22-32-49(33-23-44)62(50-34-24-45(25-35-50)47-28-38-52(39-29-47)63-58-14-6-2-10-54(58)55-11-3-7-15-59(55)63)51-36-26-46(27-37-51)48-30-40-53(41-31-48)64-60-16-8-4-12-56(60)57-13-5-9-17-61(57)64;25-19-13-9-17(10-14-19)18-11-15-20(16-12-18)26-23-7-3-1-5-21(23)22-6-2-4-8-24(22)26;19-13-10-8-12(9-11-13)14-5-3-6-16-15-4-1-2-7-17(15)20-18(14)16/h2-41H,1H3;1-16H;1-11H
InChIKeyMWKUXINNLFSEKD-UHFFFAOYSA-N
XLogP29.89
TPSA31.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001539.53
LogP ≤ 529.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-bis(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylaniline
CID 58510642
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline
CID 58510633
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163
9-[4-(4-bromophenyl)phenyl]-3-(4-dibenzofuran-4-ylphenyl)carbazole
CID 118402480
4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline
CID 164786369
N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 58510827
4-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]phenyl]benzaldehyde
CID 58568911
4-(4-bromophenyl)dibenzofuran;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 158714965
9-(4-dibenzofuran-4-ylphenyl)-3-methylcarbazole
CID 129128081
N-(4-dibenzofuran-4-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline
CID 58113345
9-[4-(4-bromophenyl)phenyl]-3,6-di(dibenzofuran-4-yl)carbazole
CID 58536218
N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-methylaniline;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)aniline
CID 157318792

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-methylphenyl)aniline;4-(4-bromophenyl)dibenzofuran;9-[4-(4-bromophenyl)phenyl]carbazole?
The IUPAC name of N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-methylphenyl)aniline;4-(4-bromophenyl)dibenzofuran;9-[4-(4-bromophenyl)phenyl]carbazole (CID 159691144) is N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-methylphenyl)aniline;4-(4-bromophenyl)dibenzofuran;9-[4-(4-bromophenyl)phenyl]carbazole.
What is the SMILES notation for N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-methylphenyl)aniline;4-(4-bromophenyl)dibenzofuran;9-[4-(4-bromophenyl)phenyl]carbazole?
The canonical SMILES for N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-methylphenyl)aniline;4-(4-bromophenyl)dibenzofuran;9-[4-(4-bromophenyl)phenyl]carbazole is Brc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.Brc1ccc(-c2cccc3c2oc2ccccc23)cc1.Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1.
What is the InChIKey of N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-methylphenyl)aniline;4-(4-bromophenyl)dibenzofuran;9-[4-(4-bromophenyl)phenyl]carbazole?
The InChIKey is MWKUXINNLFSEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43N3.C24H16BrN.C18H11BrO/c1-42-18-20-43(21-19-42)44-22-32-49(33-23-44)62(50-34-24-45(25-35-50)47-28-38-52(39-29-47)63-58-14-6-2-10-54(58)55-11-3-7-15-59(55)63)51-36-26-46(27-37-51)48-30-40-53(41-31-48)64-60-16-8-4-12-56(60)57-13-5-9-17-61(57)64;25-19-13-9-17(10-14-19)18-11-15-20(16-12-18)26-23-7-3-1-5-21(23)22-6-2-4-8-24(22)26;19-13-10-8-12(9-11-13)14-5-3-6-16-15-4-1-2-7-17(15)20-18(14)16/h2-41H,1H3;1-16H;1-11H.
What are the key properties of N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-methylphenyl)aniline;4-(4-bromophenyl)dibenzofuran;9-[4-(4-bromophenyl)phenyl]carbazole?
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-methylphenyl)aniline;4-(4-bromophenyl)dibenzofuran;9-[4-(4-bromophenyl)phenyl]carbazole has a molecular weight of 1539.53 g/mol, XLogP of 29.89, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-methylphenyl)aniline;4-(4-bromophenyl)dibenzofuran;9-[4-(4-bromophenyl)phenyl]carbazole is sourced from PubChem (CID 159691144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).