3-N-(4-naphthalen-1-ylphenyl)-1-N,1-N,3-N-triphenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)benzene-1,3-diamine

C64H43N3O — CID 134275326

IUPAC3-N-(4-naphthalen-1-ylphenyl)-1-N,1-N,3-N-triphenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)benzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(-c3cc4c5ccccc5n(-c5ccccc5)c4c4oc5ccccc5c34)cc(N(c3ccccc3)c3ccc(-c4cccc5ccccc45)cc3)c2)cc1
InChIInChI=1S/C64H43N3O/c1-5-22-47(23-6-1)65(48-24-7-2-8-25-48)52-40-46(41-53(42-52)66(49-26-9-3-10-27-49)51-38-36-45(37-39-51)55-33-19-21-44-20-13-14-30-54(44)55)58-43-59-56-31-15-17-34-60(56)67(50-28-11-4-12-29-50)63(59)64-62(58)57-32-16-18-35-61(57)68-64/h1-43H
InChIKeyBISMIODZAOSOIH-UHFFFAOYSA-N
MW870.07 g/mol
LogP18.11
Rot. Bonds9

About 3-N-(4-naphthalen-1-ylphenyl)-1-N,1-N,3-N-triphenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)benzene-1,3-diamine

3-N-(4-naphthalen-1-ylphenyl)-1-N,1-N,3-N-triphenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)benzene-1,3-diamine (PubChem CID 134275326) has the molecular formula C64H43N3O and a molecular weight of 870.07 g/mol. Its IUPAC name is 3-N-(4-naphthalen-1-ylphenyl)-1-N,1-N,3-N-triphenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(4-naphthalen-1-ylphenyl)-1-N,1-N,3-N-triphenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)benzene-1,3-diamine
PubChem CID134275326
Molecular FormulaC64H43N3O
Molecular Weight870.07 g/mol
Exact Mass869.34
IUPAC Name3-N-(4-naphthalen-1-ylphenyl)-1-N,1-N,3-N-triphenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)benzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(-c3cc4c5ccccc5n(-c5ccccc5)c4c4oc5ccccc5c34)cc(N(c3ccccc3)c3ccc(-c4cccc5ccccc45)cc3)c2)cc1
InChIInChI=1S/C64H43N3O/c1-5-22-47(23-6-1)65(48-24-7-2-8-25-48)52-40-46(41-53(42-52)66(49-26-9-3-10-27-49)51-38-36-45(37-39-51)55-33-19-21-44-20-13-14-30-54(44)55)58-43-59-56-31-15-17-34-60(56)67(50-28-11-4-12-29-50)63(59)64-62(58)57-32-16-18-35-61(57)68-64/h1-43H
InChIKeyBISMIODZAOSOIH-UHFFFAOYSA-N
XLogP18.11
TPSA24.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.07
LogP ≤ 518.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-N-(4-naphthalen-1-ylphenyl)-1-N,1-N,3-N-triphenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)benzene-1,3-diamine with MolForge

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Related Compounds

N,N-diphenyl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline
CID 134275427
4-phenyl-N-[4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 135225140
3-N-phenanthren-1-yl-1-N,1-N,3-N-triphenyl-5-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)benzene-1,3-diamine
CID 162465032
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-naphthalen-1-ylaniline
CID 155398157
6-(4-dibenzofuran-4-ylphenyl)-12-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 146368988
N-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]dibenzofuran-3-amine;N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 162093583
3-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1-N-phenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-3-N-(4-phenylphenyl)-1-N-pyridin-4-ylbenzene-1,3-diamine
CID 134275324
3-N-(4-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 146664196
N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-11-phenylbenzo[a]carbazol-3-amine
CID 155034759
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-naphthalen-1-ylaniline
CID 146578264
4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 176608559
N-(4-carbazol-9-ylphenyl)-4-naphthalen-1-yl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline
CID 159625965

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-naphthalen-1-ylphenyl)-1-N,1-N,3-N-triphenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)benzene-1,3-diamine?
The IUPAC name of 3-N-(4-naphthalen-1-ylphenyl)-1-N,1-N,3-N-triphenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)benzene-1,3-diamine (CID 134275326) is 3-N-(4-naphthalen-1-ylphenyl)-1-N,1-N,3-N-triphenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-(4-naphthalen-1-ylphenyl)-1-N,1-N,3-N-triphenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)benzene-1,3-diamine?
The canonical SMILES for 3-N-(4-naphthalen-1-ylphenyl)-1-N,1-N,3-N-triphenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)benzene-1,3-diamine is c1ccc(N(c2ccccc2)c2cc(-c3cc4c5ccccc5n(-c5ccccc5)c4c4oc5ccccc5c34)cc(N(c3ccccc3)c3ccc(-c4cccc5ccccc45)cc3)c2)cc1.
What is the InChIKey of 3-N-(4-naphthalen-1-ylphenyl)-1-N,1-N,3-N-triphenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)benzene-1,3-diamine?
The InChIKey is BISMIODZAOSOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N3O/c1-5-22-47(23-6-1)65(48-24-7-2-8-25-48)52-40-46(41-53(42-52)66(49-26-9-3-10-27-49)51-38-36-45(37-39-51)55-33-19-21-44-20-13-14-30-54(44)55)58-43-59-56-31-15-17-34-60(56)67(50-28-11-4-12-29-50)63(59)64-62(58)57-32-16-18-35-61(57)68-64/h1-43H.
What are the key properties of 3-N-(4-naphthalen-1-ylphenyl)-1-N,1-N,3-N-triphenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)benzene-1,3-diamine?
3-N-(4-naphthalen-1-ylphenyl)-1-N,1-N,3-N-triphenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)benzene-1,3-diamine has a molecular weight of 870.07 g/mol, XLogP of 18.11, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-naphthalen-1-ylphenyl)-1-N,1-N,3-N-triphenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)benzene-1,3-diamine is sourced from PubChem (CID 134275326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).