N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline

C56H36N2O — CID 167331207

IUPACN-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline
SMILESc1cc(-c2cccc3ccccc23)cc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cccc(-c3cccc4oc5c6ccccc6ccc5c34)c2)c1
InChIInChI=1S/C56H36N2O/c1-3-20-45-37(13-1)15-11-24-46(45)39-16-9-18-43(35-39)57(41-30-32-42(33-31-41)58-52-26-7-5-22-49(52)50-23-6-8-27-53(50)58)44-19-10-17-40(36-44)47-25-12-28-54-55(47)51-34-29-38-14-2-4-21-48(38)56(51)59-54/h1-36H
InChIKeyKJJMLDWWDFOPNN-UHFFFAOYSA-N
MW752.92 g/mol
LogP15.79
Rot. Bonds6

About N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline

N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline (PubChem CID 167331207) has the molecular formula C56H36N2O and a molecular weight of 752.92 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline
PubChem CID167331207
Molecular FormulaC56H36N2O
Molecular Weight752.92 g/mol
Exact Mass752.28
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline
SMILESc1cc(-c2cccc3ccccc23)cc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cccc(-c3cccc4oc5c6ccccc6ccc5c34)c2)c1
InChIInChI=1S/C56H36N2O/c1-3-20-45-37(13-1)15-11-24-46(45)39-16-9-18-43(35-39)57(41-30-32-42(33-31-41)58-52-26-7-5-22-49(52)50-23-6-8-27-53(50)58)44-19-10-17-40(36-44)47-25-12-28-54-55(47)51-34-29-38-14-2-4-21-48(38)56(51)59-54/h1-36H
InChIKeyKJJMLDWWDFOPNN-UHFFFAOYSA-N
XLogP15.79
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.92
LogP ≤ 515.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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)-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline
CID 167331264
N-(3-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine
CID 171737636
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)aniline
CID 167329894
N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 163860911
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-naphthalen-1-ylaniline
CID 155398157
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-[4-[4-[2-[2-(N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-4-phenylanilino)phenyl]carbazol-9-yl]phenyl]phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 166939041
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 166939040
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 155398218
N-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737618
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 166939681
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)phenanthren-2-amine
CID 155397942

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline (CID 167331207) is N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline is c1cc(-c2cccc3ccccc23)cc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cccc(-c3cccc4oc5c6ccccc6ccc5c34)c2)c1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline?
The InChIKey is KJJMLDWWDFOPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-3-20-45-37(13-1)15-11-24-46(45)39-16-9-18-43(35-39)57(41-30-32-42(33-31-41)58-52-26-7-5-22-49(52)50-23-6-8-27-53(50)58)44-19-10-17-40(36-44)47-25-12-28-54-55(47)51-34-29-38-14-2-4-21-48(38)56(51)59-54/h1-36H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline?
N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline has a molecular weight of 752.92 g/mol, XLogP of 15.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline is sourced from PubChem (CID 167331207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).