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

C50H32N2O — CID 167329843

IUPACN-(4-carbazol-9-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cccc3ccccc23)c(-c2cccc3oc4c5ccccc5ccc4c23)c1
InChIInChI=1S/C50H32N2O/c1-3-16-37-33(13-1)15-11-25-44(37)51(35-28-30-36(31-29-35)52-45-22-8-5-18-39(45)40-19-6-9-23-46(40)52)47-24-10-7-20-41(47)42-21-12-26-48-49(42)43-32-27-34-14-2-4-17-38(34)50(43)53-48/h1-32H
InChIKeyOWBXJXLYTZYQAX-UHFFFAOYSA-N
MW676.82 g/mol
LogP14.13
Rot. Bonds5

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

N-(4-carbazol-9-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine (PubChem CID 167329843) has the molecular formula C50H32N2O and a molecular weight of 676.82 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine
PubChem CID167329843
Molecular FormulaC50H32N2O
Molecular Weight676.82 g/mol
Exact Mass676.25
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cccc3ccccc23)c(-c2cccc3oc4c5ccccc5ccc4c23)c1
InChIInChI=1S/C50H32N2O/c1-3-16-37-33(13-1)15-11-25-44(37)51(35-28-30-36(31-29-35)52-45-22-8-5-18-39(45)40-19-6-9-23-46(40)52)47-24-10-7-20-41(47)42-21-12-26-48-49(42)43-32-27-34-14-2-4-17-38(34)50(43)53-48/h1-32H
InChIKeyOWBXJXLYTZYQAX-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-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167329361
N-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739377
N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167330639
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-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
CID 167330638
N-(4-carbazol-9-ylphenyl)-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-7-amine
CID 167277077
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 167330428
N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167331207
N-(2-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(3-phenylphenyl)aniline
CID 167330483
N-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-2-phenylaniline
CID 155649255
4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 176608424
N-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737618

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine (CID 167329843) is N-(4-carbazol-9-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine is c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cccc3ccccc23)c(-c2cccc3oc4c5ccccc5ccc4c23)c1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine?
The InChIKey is OWBXJXLYTZYQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O/c1-3-16-37-33(13-1)15-11-25-44(37)51(35-28-30-36(31-29-35)52-45-22-8-5-18-39(45)40-19-6-9-23-46(40)52)47-24-10-7-20-41(47)42-21-12-26-48-49(42)43-32-27-34-14-2-4-17-38(34)50(43)53-48/h1-32H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine?
N-(4-carbazol-9-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-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-(4-carbazol-9-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine is sourced from PubChem (CID 167329843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).