N-[2-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine

C54H35NO — CID 174258910

IUPACN-[2-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3c5ccccc5ccc43)c3ccccc3-c3cc4ccccc4cc3-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C54H35NO/c1-2-12-36(13-3-1)38-24-27-44(28-25-38)55(45-29-31-48-49-30-26-39-15-8-9-19-46(39)54(49)56-53(48)35-45)52-21-11-10-20-47(52)51-34-42-18-7-6-17-41(42)33-50(51)43-23-22-37-14-4-5-16-40(37)32-43/h1-35H
InChIKeyCTQXTHVPCLPDBM-UHFFFAOYSA-N
MW713.88 g/mol
LogP15.52
Rot. Bonds6

About N-[2-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine

N-[2-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine (PubChem CID 174258910) has the molecular formula C54H35NO and a molecular weight of 713.88 g/mol. Its IUPAC name is N-[2-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-[2-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
PubChem CID174258910
Molecular FormulaC54H35NO
Molecular Weight713.88 g/mol
Exact Mass713.27
IUPAC NameN-[2-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3c5ccccc5ccc43)c3ccccc3-c3cc4ccccc4cc3-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C54H35NO/c1-2-12-36(13-3-1)38-24-27-44(28-25-38)55(45-29-31-48-49-30-26-39-15-8-9-19-46(39)54(49)56-53(48)35-45)52-21-11-10-20-47(52)51-34-42-18-7-6-17-41(42)33-50(51)43-23-22-37-14-4-5-16-40(37)32-43/h1-35H
InChIKeyCTQXTHVPCLPDBM-UHFFFAOYSA-N
XLogP15.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 174272765
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167277432
N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-3-amine
CID 166939347
N-(2-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167324872
N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3,4-diphenylaniline
CID 174274328
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(3-phenylphenyl)aniline
CID 167330277
N-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
CID 167329404
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330822
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 166938678
N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330356
N-dibenzofuran-3-yl-6-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167396499
N-(4-phenanthren-9-ylnaphthalen-1-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167277413

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
The IUPAC name of N-[2-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine (CID 174258910) is N-[2-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine.
What is the SMILES notation for N-[2-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
The canonical SMILES for N-[2-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)oc3c5ccccc5ccc43)c3ccccc3-c3cc4ccccc4cc3-c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N-[2-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
The InChIKey is CTQXTHVPCLPDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO/c1-2-12-36(13-3-1)38-24-27-44(28-25-38)55(45-29-31-48-49-30-26-39-15-8-9-19-46(39)54(49)56-53(48)35-45)52-21-11-10-20-47(52)51-34-42-18-7-6-17-41(42)33-50(51)43-23-22-37-14-4-5-16-40(37)32-43/h1-35H.
What are the key properties of N-[2-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
N-[2-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine has a molecular weight of 713.88 g/mol, XLogP of 15.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine is sourced from PubChem (CID 174258910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).