N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine

C50H32N2O — CID 166997166

IUPACN-naphtho[1,2-b][1]benzofuran-10-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4c3oc3c5ccccc5ccc43)c3ccccc23)cc1
InChIInChI=1S/C50H32N2O/c1-3-14-33(15-4-1)37-29-31-46(40-21-10-9-20-39(37)40)52(48-25-13-23-42-43-28-26-34-16-7-8-19-38(34)49(43)53-50(42)48)36-27-30-47-44(32-36)41-22-11-12-24-45(41)51(47)35-17-5-2-6-18-35/h1-32H
InChIKeyWFXUAWYRUUIYMS-UHFFFAOYSA-N
MW676.82 g/mol
LogP14.13
Rot. Bonds5

About N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine

N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine (PubChem CID 166997166) has the molecular formula C50H32N2O and a molecular weight of 676.82 g/mol. Its IUPAC name is N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine.

Molecular Properties

Compound NameN-naphtho[1,2-b][1]benzofuran-10-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine
PubChem CID166997166
Molecular FormulaC50H32N2O
Molecular Weight676.82 g/mol
Exact Mass676.25
IUPAC NameN-naphtho[1,2-b][1]benzofuran-10-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4c3oc3c5ccccc5ccc43)c3ccccc23)cc1
InChIInChI=1S/C50H32N2O/c1-3-14-33(15-4-1)37-29-31-46(40-21-10-9-20-39(37)40)52(48-25-13-23-42-43-28-26-34-16-7-8-19-38(34)49(43)53-50(42)48)36-27-30-47-44(32-36)41-22-11-12-24-45(41)51(47)35-17-5-2-6-18-35/h1-32H
InChIKeyWFXUAWYRUUIYMS-UHFFFAOYSA-N
XLogP14.13
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine
CID 163555827
N-phenanthren-3-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168809606
N-chrysen-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine
CID 170138972
N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 167278254
N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzofuran-4-amine
CID 58510953
N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-3-amine
CID 177122073
N-dibenzofuran-4-yl-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738551
N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-3-amine
CID 58510678
N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine
CID 70938071
N-naphthalen-1-yl-9-phenyl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine
CID 59181391
N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine
CID 59181361
N-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804139

Frequently Asked Questions

What is the IUPAC name of N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine?
The IUPAC name of N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine (CID 166997166) is N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine.
What is the SMILES notation for N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine?
The canonical SMILES for N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4c3oc3c5ccccc5ccc43)c3ccccc23)cc1.
What is the InChIKey of N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine?
The InChIKey is WFXUAWYRUUIYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O/c1-3-14-33(15-4-1)37-29-31-46(40-21-10-9-20-39(37)40)52(48-25-13-23-42-43-28-26-34-16-7-8-19-38(34)49(43)53-50(42)48)36-27-30-47-44(32-36)41-22-11-12-24-45(41)51(47)35-17-5-2-6-18-35/h1-32H.
What are the key properties of N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine?
N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine has a molecular weight of 676.82 g/mol, XLogP of 14.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine is sourced from PubChem (CID 166997166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).