3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline;bis(N-[3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine)

C170H112N6O3 — CID 162157282

IUPAC3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline;bis(N-[3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine)
SMILESc1ccc(N(c2cccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3-c3ccc4c(c3)oc3ccccc34)c2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2cccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3-c3ccc4c(c3)oc3ccccc34)c2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2ccccc2)c2cccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3-c3ccc4c(c3)oc3ccccc34)c2)cc1
InChIInChI=1S/2C58H38N2O.C54H36N2O/c2*1-3-17-45(18-4-1)59(48-30-26-39-14-7-8-15-40(39)34-48)47-21-13-16-43(35-47)49-31-27-41(36-53(49)44-28-32-52-51-23-10-12-25-57(51)61-58(52)38-44)42-29-33-56-54(37-42)50-22-9-11-24-55(50)60(56)46-19-5-2-6-20-46;1-4-16-41(17-5-1)55(42-18-6-2-7-19-42)44-22-14-15-39(33-44)45-30-27-37(34-49(45)40-28-31-48-47-24-11-13-26-53(47)57-54(48)36-40)38-29-32-52-50(35-38)46-23-10-12-25-51(46)56(52)43-20-8-3-9-21-43/h2*1-38H;1-36H
InChIKeyZLZOUQHFLCDWNR-UHFFFAOYSA-N
MW2286.80 g/mol
LogP47.77
Rot. Bonds21

About 3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline;bis(N-[3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine)

3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline;bis(N-[3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine) (PubChem CID 162157282) has the molecular formula C170H112N6O3 and a molecular weight of 2286.80 g/mol. Its IUPAC name is 3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline;bis(N-[3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine).

Molecular Properties

Compound Name3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline;bis(N-[3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine)
PubChem CID162157282
Molecular FormulaC170H112N6O3
Molecular Weight2286.80 g/mol
Exact Mass2284.88
IUPAC Name3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline;bis(N-[3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine)
SMILESc1ccc(N(c2cccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3-c3ccc4c(c3)oc3ccccc34)c2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2cccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3-c3ccc4c(c3)oc3ccccc34)c2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2ccccc2)c2cccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3-c3ccc4c(c3)oc3ccccc34)c2)cc1
InChIInChI=1S/2C58H38N2O.C54H36N2O/c2*1-3-17-45(18-4-1)59(48-30-26-39-14-7-8-15-40(39)34-48)47-21-13-16-43(35-47)49-31-27-41(36-53(49)44-28-32-52-51-23-10-12-25-57(51)61-58(52)38-44)42-29-33-56-54(37-42)50-22-9-11-24-55(50)60(56)46-19-5-2-6-20-46;1-4-16-41(17-5-1)55(42-18-6-2-7-19-42)44-22-14-15-39(33-44)45-30-27-37(34-49(45)40-28-31-48-47-24-11-13-26-53(47)57-54(48)36-40)38-29-32-52-50(35-38)46-23-10-12-25-51(46)56(52)43-20-8-3-9-21-43/h2*1-38H;1-36H
InChIKeyZLZOUQHFLCDWNR-UHFFFAOYSA-N
XLogP47.77
TPSA63.93 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms179
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002286.80
LogP ≤ 547.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline;bis(N-[3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine) with MolForge

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Related Compounds

N-[3-[4-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121443601
3-[4-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,N-diphenylaniline;bis(N-[3-[4-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine)
CID 160545889
N-[3-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121443674
3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
CID 121443717
N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine
CID 164831591
3-[3-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,N-diphenylaniline
CID 121443664
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 153315011
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-ylaniline
CID 146578847
N-(3-carbazol-9-ylphenyl)-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]naphthalen-2-amine
CID 153315025
N-(3-carbazol-9-ylphenyl)-3-[4-[9-[3-(4-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]carbazol-3-yl]naphthalen-1-yl]-N-(4-dibenzofuran-3-ylphenyl)aniline
CID 167179628
1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-dinaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 129175587
3-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 126628031

Frequently Asked Questions

What is the IUPAC name of 3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline;bis(N-[3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine)?
The IUPAC name of 3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline;bis(N-[3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine) (CID 162157282) is 3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline;bis(N-[3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine).
What is the SMILES notation for 3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline;bis(N-[3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine)?
The canonical SMILES for 3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline;bis(N-[3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine) is c1ccc(N(c2cccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3-c3ccc4c(c3)oc3ccccc34)c2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2cccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3-c3ccc4c(c3)oc3ccccc34)c2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2ccccc2)c2cccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3-c3ccc4c(c3)oc3ccccc34)c2)cc1.
What is the InChIKey of 3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline;bis(N-[3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine)?
The InChIKey is ZLZOUQHFLCDWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C58H38N2O.C54H36N2O/c2*1-3-17-45(18-4-1)59(48-30-26-39-14-7-8-15-40(39)34-48)47-21-13-16-43(35-47)49-31-27-41(36-53(49)44-28-32-52-51-23-10-12-25-57(51)61-58(52)38-44)42-29-33-56-54(37-42)50-22-9-11-24-55(50)60(56)46-19-5-2-6-20-46;1-4-16-41(17-5-1)55(42-18-6-2-7-19-42)44-22-14-15-39(33-44)45-30-27-37(34-49(45)40-28-31-48-47-24-11-13-26-53(47)57-54(48)36-40)38-29-32-52-50(35-38)46-23-10-12-25-51(46)56(52)43-20-8-3-9-21-43/h2*1-38H;1-36H.
What are the key properties of 3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline;bis(N-[3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine)?
3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline;bis(N-[3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine) has a molecular weight of 2286.80 g/mol, XLogP of 47.77, 21 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline;bis(N-[3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine) is sourced from PubChem (CID 162157282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).