5-carbazol-9-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine

C72H49N3O — CID 118605166

IUPAC5-carbazol-9-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc(-n4c5ccccc5c5ccccc54)c3)cc2)cc1
InChIInChI=1S/C72H49N3O/c1-4-16-50(17-5-1)53-28-37-58(38-29-53)73(59-39-30-54(31-40-59)51-18-6-2-7-19-51)62-47-63(49-64(48-62)75-69-25-13-10-22-65(69)66-23-11-14-26-70(66)75)74(60-41-32-55(33-42-60)52-20-8-3-9-21-52)61-43-34-56(35-44-61)57-36-45-72-68(46-57)67-24-12-15-27-71(67)76-72/h1-49H
InChIKeyFCQFIBWUHSUGSE-UHFFFAOYSA-N
MW972.20 g/mol
LogP20.29
Rot. Bonds11

About 5-carbazol-9-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine

5-carbazol-9-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine (PubChem CID 118605166) has the molecular formula C72H49N3O and a molecular weight of 972.20 g/mol. Its IUPAC name is 5-carbazol-9-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-carbazol-9-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
PubChem CID118605166
Molecular FormulaC72H49N3O
Molecular Weight972.20 g/mol
Exact Mass971.39
IUPAC Name5-carbazol-9-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc(-n4c5ccccc5c5ccccc54)c3)cc2)cc1
InChIInChI=1S/C72H49N3O/c1-4-16-50(17-5-1)53-28-37-58(38-29-53)73(59-39-30-54(31-40-59)51-18-6-2-7-19-51)62-47-63(49-64(48-62)75-69-25-13-10-22-65(69)66-23-11-14-26-70(66)75)74(60-41-32-55(33-42-60)52-20-8-3-9-21-52)61-43-34-56(35-44-61)57-36-45-72-68(46-57)67-24-12-15-27-71(67)76-72/h1-49H
InChIKeyFCQFIBWUHSUGSE-UHFFFAOYSA-N
XLogP20.29
TPSA24.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500972.20
LogP ≤ 520.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 146578329
N-[4-[4-[3-(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118402378
4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline
CID 58510759
N-[4-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121443574
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-6,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline;9-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 158901637
3-N-dibenzofuran-2-yl-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 176781523
N-[4-[4-[3,6-bis(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118402366
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline
CID 121443776
N-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-4-phenylaniline
CID 118405567
3-N,3-N-bis(4-dibenzofuran-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605075
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118462582
5-dibenzofuran-2-yl-1-N,3-N-diphenyl-1-N,3-N-bis(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 122634225

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine?
The IUPAC name of 5-carbazol-9-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine (CID 118605166) is 5-carbazol-9-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 5-carbazol-9-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine?
The canonical SMILES for 5-carbazol-9-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc(-n4c5ccccc5c5ccccc54)c3)cc2)cc1.
What is the InChIKey of 5-carbazol-9-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine?
The InChIKey is FCQFIBWUHSUGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H49N3O/c1-4-16-50(17-5-1)53-28-37-58(38-29-53)73(59-39-30-54(31-40-59)51-18-6-2-7-19-51)62-47-63(49-64(48-62)75-69-25-13-10-22-65(69)66-23-11-14-26-70(66)75)74(60-41-32-55(33-42-60)52-20-8-3-9-21-52)61-43-34-56(35-44-61)57-36-45-72-68(46-57)67-24-12-15-27-71(67)76-72/h1-49H.
What are the key properties of 5-carbazol-9-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine?
5-carbazol-9-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine has a molecular weight of 972.20 g/mol, XLogP of 20.29, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 118605166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).