3-carbazol-9-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline

C55H40N2O — CID 155398005

IUPAC3-carbazol-9-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESC=Cc1c(/C=C\C)oc2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c12
InChIInChI=1S/C55H40N2O/c1-3-15-53-47(4-2)55-48(24-14-27-54(55)58-53)40-30-34-44(35-31-40)56(43-32-28-39(29-33-43)42-19-12-18-41(36-42)38-16-6-5-7-17-38)45-20-13-21-46(37-45)57-51-25-10-8-22-49(51)50-23-9-11-26-52(50)57/h3-37H,2H2,1H3/b15-3-
InChIKeyONJILMHYJWVMPK-CQPUUCJISA-N
MW744.94 g/mol
LogP15.68
Rot. Bonds9

About 3-carbazol-9-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline

3-carbazol-9-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 155398005) has the molecular formula C55H40N2O and a molecular weight of 744.94 g/mol. Its IUPAC name is 3-carbazol-9-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name3-carbazol-9-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
PubChem CID155398005
Molecular FormulaC55H40N2O
Molecular Weight744.94 g/mol
Exact Mass744.31
IUPAC Name3-carbazol-9-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESC=Cc1c(/C=C\C)oc2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c12
InChIInChI=1S/C55H40N2O/c1-3-15-53-47(4-2)55-48(24-14-27-54(55)58-53)40-30-34-44(35-31-40)56(43-32-28-39(29-33-43)42-19-12-18-41(36-42)38-16-6-5-7-17-38)45-20-13-21-46(37-45)57-51-25-10-8-22-49(51)50-23-9-11-26-52(50)57/h3-37H,2H2,1H3/b15-3-
InChIKeyONJILMHYJWVMPK-CQPUUCJISA-N
XLogP15.68
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.94
LogP ≤ 515.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-(3-phenylphenyl)aniline
CID 155398231
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-(3-phenanthren-9-ylphenyl)aniline
CID 167179629
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
CID 155398161
4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-phenylaniline
CID 155398448
3-carbazol-9-yl-N-(4-dibenzofuran-1-ylphenyl)-N-phenylaniline
CID 155397910
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-3-phenylaniline
CID 155398563
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 155398223
3-carbazol-9-yl-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 155398643
N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-(3-phenylphenyl)aniline
CID 153315131
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(4-phenylphenyl)aniline
CID 155397977
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-phenylaniline
CID 155649256
4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 155398444

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline?
The IUPAC name of 3-carbazol-9-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline (CID 155398005) is 3-carbazol-9-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 3-carbazol-9-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline?
The canonical SMILES for 3-carbazol-9-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline is C=Cc1c(/C=C\C)oc2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c12.
What is the InChIKey of 3-carbazol-9-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline?
The InChIKey is ONJILMHYJWVMPK-CQPUUCJISA-N. The full InChI is InChI=1S/C55H40N2O/c1-3-15-53-47(4-2)55-48(24-14-27-54(55)58-53)40-30-34-44(35-31-40)56(43-32-28-39(29-33-43)42-19-12-18-41(36-42)38-16-6-5-7-17-38)45-20-13-21-46(37-45)57-51-25-10-8-22-49(51)50-23-9-11-26-52(50)57/h3-37H,2H2,1H3/b15-3-.
What are the key properties of 3-carbazol-9-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline?
3-carbazol-9-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline has a molecular weight of 744.94 g/mol, XLogP of 15.68, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 155398005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).