N-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine

C50H33NO — CID 167339356

IUPACN-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
SMILESc1ccc(-c2ccccc2-c2cc3ccccc3c3oc4ccc(N(c5ccccc5)c5ccc(-c6ccc7ccccc7c6)cc5)cc4c23)cc1
InChIInChI=1S/C50H33NO/c1-3-14-36(15-4-1)43-20-11-12-22-45(43)46-32-39-17-9-10-21-44(39)50-49(46)47-33-42(29-30-48(47)52-50)51(40-18-5-2-6-19-40)41-27-25-35(26-28-41)38-24-23-34-13-7-8-16-37(34)31-38/h1-33H
InChIKeyCGPVSMHEPPUULF-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

About N-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine

N-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine (PubChem CID 167339356) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
PubChem CID167339356
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
SMILESc1ccc(-c2ccccc2-c2cc3ccccc3c3oc4ccc(N(c5ccccc5)c5ccc(-c6ccc7ccccc7c6)cc5)cc4c23)cc1
InChIInChI=1S/C50H33NO/c1-3-14-36(15-4-1)43-20-11-12-22-45(43)46-32-39-17-9-10-21-44(39)50-49(46)47-33-42(29-30-48(47)52-50)51(40-18-5-2-6-19-40)41-27-25-35(26-28-41)38-24-23-34-13-7-8-16-37(34)31-38/h1-33H
InChIKeyCGPVSMHEPPUULF-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

6-dibenzothiophen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine
CID 167339368
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-3-phenylaniline
CID 170030961
N-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168804464
N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
CID 168805062
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374301
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170031195
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 168804352
N-naphthalen-2-yl-6-(2-phenyl-1,3-benzoxazol-5-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 171754558
N-(4-dibenzofuran-4-ylphenyl)-N,3-bis(4-naphthalen-2-ylphenyl)aniline
CID 155374297
N-(4-naphthalen-2-ylphenyl)-3-[3-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline
CID 167086919
N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine
CID 176820471
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[3-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 168790758

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine (CID 167339356) is N-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine is c1ccc(-c2ccccc2-c2cc3ccccc3c3oc4ccc(N(c5ccccc5)c5ccc(-c6ccc7ccccc7c6)cc5)cc4c23)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The InChIKey is CGPVSMHEPPUULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-3-14-36(15-4-1)43-20-11-12-22-45(43)46-32-39-17-9-10-21-44(39)50-49(46)47-33-42(29-30-48(47)52-50)51(40-18-5-2-6-19-40)41-27-25-35(26-28-41)38-24-23-34-13-7-8-16-37(34)31-38/h1-33H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
N-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine 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 N-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine is sourced from PubChem (CID 167339356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).