5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine

C54H37N3O — CID 90252504

IUPAC5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)cc3)cc(N(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C54H37N3O/c1-5-17-40(18-6-1)55(41-19-7-2-8-20-41)45-33-39(34-46(35-45)56(42-21-9-3-10-22-42)43-23-11-4-12-24-43)38-29-31-44(32-30-38)57-51-27-15-13-25-47(51)49-36-50-48-26-14-16-28-53(48)58-54(50)37-52(49)57/h1-37H
InChIKeyQSIOAHVWUHXZON-UHFFFAOYSA-N
MW743.91 g/mol
LogP15.29
Rot. Bonds8

About 5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine

5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine (PubChem CID 90252504) has the molecular formula C54H37N3O and a molecular weight of 743.91 g/mol. Its IUPAC name is 5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
PubChem CID90252504
Molecular FormulaC54H37N3O
Molecular Weight743.91 g/mol
Exact Mass743.29
IUPAC Name5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)cc3)cc(N(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C54H37N3O/c1-5-17-40(18-6-1)55(41-19-7-2-8-20-41)45-33-39(34-46(35-45)56(42-21-9-3-10-22-42)43-23-11-4-12-24-43)38-29-31-44(32-30-38)57-51-27-15-13-25-47(51)49-36-50-48-26-14-16-28-53(48)58-54(50)37-52(49)57/h1-37H
InChIKeyQSIOAHVWUHXZON-UHFFFAOYSA-N
XLogP15.29
TPSA24.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.91
LogP ≤ 515.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-4-phenylaniline
CID 118405567
3-dibenzofuran-2-yl-N,N-diphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline
CID 121443777
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
5-dibenzofuran-2-yl-1-N,3-N-diphenyl-1-N,3-N-bis(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 122634225
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline
CID 121443776
7-[4-(4-carbazol-9-ylphenyl)phenyl]-10-phenyl-[1]benzofuro[2,3-b]carbazole
CID 167192760
7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 171612092
N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 90376825
5-[7-(N-dibenzofuran-2-ylanilino)-9-phenylcarbazol-3-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 146588588
3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N,3-diphenylaniline
CID 161194033
4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 135164572
N-[4-[4-[3-(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118402378

Frequently Asked Questions

What is the IUPAC name of 5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The IUPAC name of 5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine (CID 90252504) is 5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine.
What is the SMILES notation for 5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The canonical SMILES for 5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine is c1ccc(N(c2ccccc2)c2cc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)cc3)cc(N(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of 5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The InChIKey is QSIOAHVWUHXZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3O/c1-5-17-40(18-6-1)55(41-19-7-2-8-20-41)45-33-39(34-46(35-45)56(42-21-9-3-10-22-42)43-23-11-4-12-24-43)38-29-31-44(32-30-38)57-51-27-15-13-25-47(51)49-36-50-48-26-14-16-28-53(48)58-54(50)37-52(49)57/h1-37H.
What are the key properties of 5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine has a molecular weight of 743.91 g/mol, XLogP of 15.29, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine is sourced from PubChem (CID 90252504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).