N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine

C58H36N2O2 — CID 167329439

IUPACN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine
SMILESc1cc(-c2ccc(N(c3ccc(-c4cccc5oc6c7ccccc7ccc6c45)cc3)c3ccc4oc5ccccc5c4c3)cc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C58H36N2O2/c1-2-14-46-38(11-1)27-33-50-57-45(18-10-22-56(57)62-58(46)50)39-25-30-42(31-26-39)59(44-32-34-55-51(36-44)49-17-5-8-21-54(49)61-55)41-28-23-37(24-29-41)40-12-9-13-43(35-40)60-52-19-6-3-15-47(52)48-16-4-7-20-53(48)60/h1-36H
InChIKeySSNVINPUWKYOKY-UHFFFAOYSA-N
MW792.94 g/mol
LogP16.54
Rot. Bonds6

About N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine (PubChem CID 167329439) has the molecular formula C58H36N2O2 and a molecular weight of 792.94 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine
PubChem CID167329439
Molecular FormulaC58H36N2O2
Molecular Weight792.94 g/mol
Exact Mass792.28
IUPAC NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine
SMILESc1cc(-c2ccc(N(c3ccc(-c4cccc5oc6c7ccccc7ccc6c45)cc3)c3ccc4oc5ccccc5c4c3)cc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C58H36N2O2/c1-2-14-46-38(11-1)27-33-50-57-45(18-10-22-56(57)62-58(46)50)39-25-30-42(31-26-39)59(44-32-34-55-51(36-44)49-17-5-8-21-54(49)61-55)41-28-23-37(24-29-41)40-12-9-13-43(35-40)60-52-19-6-3-15-47(52)48-16-4-7-20-53(48)60/h1-36H
InChIKeySSNVINPUWKYOKY-UHFFFAOYSA-N
XLogP16.54
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.94
LogP ≤ 516.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 166939403
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 166939040
N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 163860911
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 166938977
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline
CID 167331264
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 166939262
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)naphthalen-2-amine
CID 155398648
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline
CID 171764248
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-phenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-4-phenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 161206452
N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-phenylaniline
CID 167331100
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-2-amine
CID 168805014
4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 167330854

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine (CID 167329439) is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine is c1cc(-c2ccc(N(c3ccc(-c4cccc5oc6c7ccccc7ccc6c45)cc3)c3ccc4oc5ccccc5c4c3)cc2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine?
The InChIKey is SSNVINPUWKYOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2O2/c1-2-14-46-38(11-1)27-33-50-57-45(18-10-22-56(57)62-58(46)50)39-25-30-42(31-26-39)59(44-32-34-55-51(36-44)49-17-5-8-21-54(49)61-55)41-28-23-37(24-29-41)40-12-9-13-43(35-40)60-52-19-6-3-15-47(52)48-16-4-7-20-53(48)60/h1-36H.
What are the key properties of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine?
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine has a molecular weight of 792.94 g/mol, XLogP of 16.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 167329439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).