2-N,4-N-di(dibenzofuran-1-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine

C54H35N3O2 — CID 139496690

IUPAC2-N,4-N-di(dibenzofuran-1-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine
SMILESc1ccc(N(c2cc(N(c3ccccc3)c3cccc4oc5ccccc5c34)c3c4ccccc4n(-c4ccccc4)c3c2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C54H35N3O2/c1-4-18-36(19-5-1)55(44-28-16-32-50-53(44)41-25-11-14-30-48(41)58-50)39-34-46-52(40-24-10-13-27-43(40)56(46)37-20-6-2-7-21-37)47(35-39)57(38-22-8-3-9-23-38)45-29-17-33-51-54(45)42-26-12-15-31-49(42)59-51/h1-35H
InChIKeyNJVUQVAJNDNCSM-UHFFFAOYSA-N
MW757.89 g/mol
LogP15.52
Rot. Bonds7

About 2-N,4-N-di(dibenzofuran-1-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine

2-N,4-N-di(dibenzofuran-1-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine (PubChem CID 139496690) has the molecular formula C54H35N3O2 and a molecular weight of 757.89 g/mol. Its IUPAC name is 2-N,4-N-di(dibenzofuran-1-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-di(dibenzofuran-1-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine
PubChem CID139496690
Molecular FormulaC54H35N3O2
Molecular Weight757.89 g/mol
Exact Mass757.27
IUPAC Name2-N,4-N-di(dibenzofuran-1-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine
SMILESc1ccc(N(c2cc(N(c3ccccc3)c3cccc4oc5ccccc5c34)c3c4ccccc4n(-c4ccccc4)c3c2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C54H35N3O2/c1-4-18-36(19-5-1)55(44-28-16-32-50-53(44)41-25-11-14-30-48(41)58-50)39-34-46-52(40-24-10-13-27-43(40)56(46)37-20-6-2-7-21-37)47(35-39)57(38-22-8-3-9-23-38)45-29-17-33-51-54(45)42-26-12-15-31-49(42)59-51/h1-35H
InChIKeyNJVUQVAJNDNCSM-UHFFFAOYSA-N
XLogP15.52
TPSA37.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.89
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole-2,4-diamine
CID 154965850
N-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-1-amine
CID 163557742
N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N,9-diphenylcarbazol-4-amine
CID 170034217
N-(3-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 164822795
N-dibenzofuran-1-yl-N,5,9-triphenylcarbazol-3-amine
CID 169009623
2-N-dibenzofuran-4-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine
CID 154965712
N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
CID 170033851
N-dibenzofuran-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814779
N,N-diphenyl-5-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795724
N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172500744
N-dibenzofuran-1-yl-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 138717110
N-dibenzofuran-1-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 169009626

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-di(dibenzofuran-1-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine?
The IUPAC name of 2-N,4-N-di(dibenzofuran-1-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine (CID 139496690) is 2-N,4-N-di(dibenzofuran-1-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine.
What is the SMILES notation for 2-N,4-N-di(dibenzofuran-1-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine?
The canonical SMILES for 2-N,4-N-di(dibenzofuran-1-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine is c1ccc(N(c2cc(N(c3ccccc3)c3cccc4oc5ccccc5c34)c3c4ccccc4n(-c4ccccc4)c3c2)c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of 2-N,4-N-di(dibenzofuran-1-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine?
The InChIKey is NJVUQVAJNDNCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3O2/c1-4-18-36(19-5-1)55(44-28-16-32-50-53(44)41-25-11-14-30-48(41)58-50)39-34-46-52(40-24-10-13-27-43(40)56(46)37-20-6-2-7-21-37)47(35-39)57(38-22-8-3-9-23-38)45-29-17-33-51-54(45)42-26-12-15-31-49(42)59-51/h1-35H.
What are the key properties of 2-N,4-N-di(dibenzofuran-1-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine?
2-N,4-N-di(dibenzofuran-1-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine has a molecular weight of 757.89 g/mol, XLogP of 15.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-di(dibenzofuran-1-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine is sourced from PubChem (CID 139496690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).