N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine

C56H36N2O — CID 167277636

IUPACN-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(-c2cccc3ccc(-c4ccc(N(c5cccc(-n6c7ccccc7c7ccccc76)c5)c5ccc6c(c5)oc5c7ccccc7ccc65)cc4)cc23)cc1
InChIInChI=1S/C56H36N2O/c1-2-12-38(13-3-1)46-21-10-15-40-24-25-41(34-52(40)46)37-26-29-42(30-27-37)57(45-31-33-50-51-32-28-39-14-4-5-18-47(39)56(51)59-55(50)36-45)43-16-11-17-44(35-43)58-53-22-8-6-19-48(53)49-20-7-9-23-54(49)58/h1-36H
InChIKeySJTAJEQCWYQHNU-UHFFFAOYSA-N
MW752.92 g/mol
LogP15.79
Rot. Bonds6

About N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine

N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine (PubChem CID 167277636) has the molecular formula C56H36N2O and a molecular weight of 752.92 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
PubChem CID167277636
Molecular FormulaC56H36N2O
Molecular Weight752.92 g/mol
Exact Mass752.28
IUPAC NameN-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(-c2cccc3ccc(-c4ccc(N(c5cccc(-n6c7ccccc7c7ccccc76)c5)c5ccc6c(c5)oc5c7ccccc7ccc65)cc4)cc23)cc1
InChIInChI=1S/C56H36N2O/c1-2-12-38(13-3-1)46-21-10-15-40-24-25-41(34-52(40)46)37-26-29-42(30-27-37)57(45-31-33-50-51-32-28-39-14-4-5-18-47(39)56(51)59-55(50)36-45)43-16-11-17-44(35-43)58-53-22-8-6-19-48(53)49-20-7-9-23-54(49)58/h1-36H
InChIKeySJTAJEQCWYQHNU-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

3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline;3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 158979073
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline
CID 167331264
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-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 163860911
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-2-amine
CID 168805014
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153315205
N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-[4-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 169302137
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-naphthalen-1-ylaniline
CID 146578264
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine
CID 167329439
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
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 166939040
3-carbazol-9-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;3-carbazol-9-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline;3-carbazol-9-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline;N-(3-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 158671562

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine?
The IUPAC name of N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine (CID 167277636) is N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine.
What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine?
The canonical SMILES for N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine is c1ccc(-c2cccc3ccc(-c4ccc(N(c5cccc(-n6c7ccccc7c7ccccc76)c5)c5ccc6c(c5)oc5c7ccccc7ccc65)cc4)cc23)cc1.
What is the InChIKey of N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine?
The InChIKey is SJTAJEQCWYQHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-2-12-38(13-3-1)46-21-10-15-40-24-25-41(34-52(40)46)37-26-29-42(30-27-37)57(45-31-33-50-51-32-28-39-14-4-5-18-47(39)56(51)59-55(50)36-45)43-16-11-17-44(35-43)58-53-22-8-6-19-48(53)49-20-7-9-23-54(49)58/h1-36H.
What are the key properties of N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine?
N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine 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-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine is sourced from PubChem (CID 167277636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).