2-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)aniline

C50H33NO — CID 170030274

IUPAC2-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccc6oc7ccccc7c6c5c4)cc3)c3ccccc3-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C50H33NO/c1-2-10-34(11-3-1)36-22-27-42(28-23-36)51(47-16-8-6-14-44(47)41-21-18-35-12-4-5-13-39(35)32-41)43-29-24-37(25-30-43)40-20-19-38-26-31-49-50(46(38)33-40)45-15-7-9-17-48(45)52-49/h1-33H
InChIKeyHCCOCCGCRAOZOB-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

About 2-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)aniline

2-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)aniline (PubChem CID 170030274) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is 2-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)aniline
PubChem CID170030274
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC Name2-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccc6oc7ccccc7c6c5c4)cc3)c3ccccc3-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C50H33NO/c1-2-10-34(11-3-1)36-22-27-42(28-23-36)51(47-16-8-6-14-44(47)41-21-18-35-12-4-5-13-39(35)32-41)43-29-24-37(25-30-43)40-20-19-38-26-31-49-50(46(38)33-40)45-15-7-9-17-48(45)52-49/h1-33H
InChIKeyHCCOCCGCRAOZOB-UHFFFAOYSA-N
XLogP14.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.82
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-6-phenyl-N-(2-phenylphenyl)naphthalen-2-amine
CID 170126967
2-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167324670
N-(4-naphtho[2,1-b][1]benzofuran-2-yl-3-phenylphenyl)-6-phenyl-N-(2-phenylphenyl)naphthalen-2-amine
CID 170126650
N-(2-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 167326443
5-naphthalen-2-yl-N-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-3-amine
CID 176765192
2-dibenzofuran-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325244
N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-7-phenyl-N-(2-phenylphenyl)naphthalen-2-amine
CID 170126954
N-[4-(3-naphtho[2,1-b][1]benzofuran-2-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170127479
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 170535022
N-(4-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 154605751
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-2-phenylaniline
CID 166565627
N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine
CID 170031061

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)aniline?
The IUPAC name of 2-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)aniline (CID 170030274) is 2-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccc6oc7ccccc7c6c5c4)cc3)c3ccccc3-c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)aniline?
The InChIKey is HCCOCCGCRAOZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-2-10-34(11-3-1)36-22-27-42(28-23-36)51(47-16-8-6-14-44(47)41-21-18-35-12-4-5-13-39(35)32-41)43-29-24-37(25-30-43)40-20-19-38-26-31-49-50(46(38)33-40)45-15-7-9-17-48(45)52-49/h1-33H.
What are the key properties of 2-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)aniline?
2-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)aniline has a molecular weight of 663.82 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 170030274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).