N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenyl-7-(7-phenylnaphthalen-2-yl)naphthalen-2-amine

C54H35NO — CID 174258690

IUPACN-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenyl-7-(7-phenylnaphthalen-2-yl)naphthalen-2-amine
SMILESc1ccc(-c2ccc3ccc(-c4ccc5ccc(N(c6ccccc6)c6ccc(-c7cccc8oc9c%10ccccc%10ccc9c78)cc6)cc5c4)cc3c2)cc1
InChIInChI=1S/C54H35NO/c1-3-10-36(11-4-1)41-21-18-37-19-22-42(33-44(37)32-41)43-23-20-38-24-30-48(35-45(38)34-43)55(46-13-5-2-6-14-46)47-28-25-40(26-29-47)49-16-9-17-52-53(49)51-31-27-39-12-7-8-15-50(39)54(51)56-52/h1-35H
InChIKeyZUYFAIWKRAMWAP-UHFFFAOYSA-N
MW713.88 g/mol
LogP15.52
Rot. Bonds6

About N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenyl-7-(7-phenylnaphthalen-2-yl)naphthalen-2-amine

N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenyl-7-(7-phenylnaphthalen-2-yl)naphthalen-2-amine (PubChem CID 174258690) has the molecular formula C54H35NO and a molecular weight of 713.88 g/mol. Its IUPAC name is N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenyl-7-(7-phenylnaphthalen-2-yl)naphthalen-2-amine.

Molecular Properties

Compound NameN-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenyl-7-(7-phenylnaphthalen-2-yl)naphthalen-2-amine
PubChem CID174258690
Molecular FormulaC54H35NO
Molecular Weight713.88 g/mol
Exact Mass713.27
IUPAC NameN-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenyl-7-(7-phenylnaphthalen-2-yl)naphthalen-2-amine
SMILESc1ccc(-c2ccc3ccc(-c4ccc5ccc(N(c6ccccc6)c6ccc(-c7cccc8oc9c%10ccccc%10ccc9c78)cc6)cc5c4)cc3c2)cc1
InChIInChI=1S/C54H35NO/c1-3-10-36(11-4-1)41-21-18-37-19-22-42(33-44(37)32-41)43-23-20-38-24-30-48(35-45(38)34-43)55(46-13-5-2-6-14-46)47-28-25-40(26-29-47)49-16-9-17-52-53(49)51-31-27-39-12-7-8-15-50(39)54(51)56-52/h1-35H
InChIKeyZUYFAIWKRAMWAP-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

4-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenylaniline
CID 166939396
4-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167331254
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 170272481
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 167331023
3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166939687
N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 166939002
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-4-phenanthren-2-ylaniline
CID 167331053
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 167329673
N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167329791
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-phenylaniline
CID 167329469
N-[4-[3-[7-[4-(4-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)anilino)phenyl]naphthalen-2-yl]phenanthren-9-yl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 166939667
N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-phenylaniline
CID 167331100

Frequently Asked Questions

What is the IUPAC name of N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenyl-7-(7-phenylnaphthalen-2-yl)naphthalen-2-amine?
The IUPAC name of N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenyl-7-(7-phenylnaphthalen-2-yl)naphthalen-2-amine (CID 174258690) is N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenyl-7-(7-phenylnaphthalen-2-yl)naphthalen-2-amine.
What is the SMILES notation for N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenyl-7-(7-phenylnaphthalen-2-yl)naphthalen-2-amine?
The canonical SMILES for N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenyl-7-(7-phenylnaphthalen-2-yl)naphthalen-2-amine is c1ccc(-c2ccc3ccc(-c4ccc5ccc(N(c6ccccc6)c6ccc(-c7cccc8oc9c%10ccccc%10ccc9c78)cc6)cc5c4)cc3c2)cc1.
What is the InChIKey of N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenyl-7-(7-phenylnaphthalen-2-yl)naphthalen-2-amine?
The InChIKey is ZUYFAIWKRAMWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO/c1-3-10-36(11-4-1)41-21-18-37-19-22-42(33-44(37)32-41)43-23-20-38-24-30-48(35-45(38)34-43)55(46-13-5-2-6-14-46)47-28-25-40(26-29-47)49-16-9-17-52-53(49)51-31-27-39-12-7-8-15-50(39)54(51)56-52/h1-35H.
What are the key properties of N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenyl-7-(7-phenylnaphthalen-2-yl)naphthalen-2-amine?
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenyl-7-(7-phenylnaphthalen-2-yl)naphthalen-2-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-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenyl-7-(7-phenylnaphthalen-2-yl)naphthalen-2-amine is sourced from PubChem (CID 174258690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).