7-(4-dibenzofuran-4-ylphenyl)-N,N,5-triphenylindolo[2,3-b]carbazol-3-amine

C54H35N3O — CID 134222268

IUPAC7-(4-dibenzofuran-4-ylphenyl)-N,N,5-triphenylindolo[2,3-b]carbazol-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c4cc5c6ccccc6n(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)c5cc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C54H35N3O/c1-4-15-37(16-5-1)55(38-17-6-2-7-18-38)41-31-32-44-48-34-47-43-21-10-12-25-49(43)56(51(47)35-52(48)57(50(44)33-41)39-19-8-3-9-20-39)40-29-27-36(28-30-40)42-23-14-24-46-45-22-11-13-26-53(45)58-54(42)46/h1-35H
InChIKeySZRVBJZGZUGJMG-UHFFFAOYSA-N
MW741.89 g/mol
LogP14.92
Rot. Bonds6

About 7-(4-dibenzofuran-4-ylphenyl)-N,N,5-triphenylindolo[2,3-b]carbazol-3-amine

7-(4-dibenzofuran-4-ylphenyl)-N,N,5-triphenylindolo[2,3-b]carbazol-3-amine (PubChem CID 134222268) has the molecular formula C54H35N3O and a molecular weight of 741.89 g/mol. Its IUPAC name is 7-(4-dibenzofuran-4-ylphenyl)-N,N,5-triphenylindolo[2,3-b]carbazol-3-amine.

Molecular Properties

Compound Name7-(4-dibenzofuran-4-ylphenyl)-N,N,5-triphenylindolo[2,3-b]carbazol-3-amine
PubChem CID134222268
Molecular FormulaC54H35N3O
Molecular Weight741.89 g/mol
Exact Mass741.28
IUPAC Name7-(4-dibenzofuran-4-ylphenyl)-N,N,5-triphenylindolo[2,3-b]carbazol-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c4cc5c6ccccc6n(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)c5cc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C54H35N3O/c1-4-15-37(16-5-1)55(38-17-6-2-7-18-38)41-31-32-44-48-34-47-43-21-10-12-25-49(43)56(51(47)35-52(48)57(50(44)33-41)39-19-8-3-9-20-39)40-29-27-36(28-30-40)42-23-14-24-46-45-22-11-13-26-53(45)58-54(42)46/h1-35H
InChIKeySZRVBJZGZUGJMG-UHFFFAOYSA-N
XLogP14.92
TPSA26.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.89
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-dibenzofuran-4-ylphenyl)-N,N,5-triphenylindolo[2,3-b]carbazol-3-amine?
The IUPAC name of 7-(4-dibenzofuran-4-ylphenyl)-N,N,5-triphenylindolo[2,3-b]carbazol-3-amine (CID 134222268) is 7-(4-dibenzofuran-4-ylphenyl)-N,N,5-triphenylindolo[2,3-b]carbazol-3-amine.
What is the SMILES notation for 7-(4-dibenzofuran-4-ylphenyl)-N,N,5-triphenylindolo[2,3-b]carbazol-3-amine?
The canonical SMILES for 7-(4-dibenzofuran-4-ylphenyl)-N,N,5-triphenylindolo[2,3-b]carbazol-3-amine is c1ccc(N(c2ccccc2)c2ccc3c4cc5c6ccccc6n(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)c5cc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 7-(4-dibenzofuran-4-ylphenyl)-N,N,5-triphenylindolo[2,3-b]carbazol-3-amine?
The InChIKey is SZRVBJZGZUGJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3O/c1-4-15-37(16-5-1)55(38-17-6-2-7-18-38)41-31-32-44-48-34-47-43-21-10-12-25-49(43)56(51(47)35-52(48)57(50(44)33-41)39-19-8-3-9-20-39)40-29-27-36(28-30-40)42-23-14-24-46-45-22-11-13-26-53(45)58-54(42)46/h1-35H.
What are the key properties of 7-(4-dibenzofuran-4-ylphenyl)-N,N,5-triphenylindolo[2,3-b]carbazol-3-amine?
7-(4-dibenzofuran-4-ylphenyl)-N,N,5-triphenylindolo[2,3-b]carbazol-3-amine has a molecular weight of 741.89 g/mol, XLogP of 14.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-dibenzofuran-4-ylphenyl)-N,N,5-triphenylindolo[2,3-b]carbazol-3-amine is sourced from PubChem (CID 134222268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).