N-phenyl-5-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine

C50H33NO — CID 176808370

IUPACN-phenyl-5-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4oc5cc(-c6ccc7cc(-c8ccccc8)ccc7c6)c6ccccc6c5c34)cc2)cc1
InChIInChI=1S/C50H33NO/c1-4-13-34(14-5-1)36-27-29-42(30-28-36)51(41-17-8-3-9-18-41)46-21-12-22-47-50(46)49-44-20-11-10-19-43(44)45(33-48(49)52-47)40-26-25-38-31-37(23-24-39(38)32-40)35-15-6-2-7-16-35/h1-33H
InChIKeyTYYOAHUJGJXMOT-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

About N-phenyl-5-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine

N-phenyl-5-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine (PubChem CID 176808370) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is N-phenyl-5-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine.

Molecular Properties

Compound NameN-phenyl-5-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
PubChem CID176808370
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC NameN-phenyl-5-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4oc5cc(-c6ccc7cc(-c8ccccc8)ccc7c6)c6ccccc6c5c34)cc2)cc1
InChIInChI=1S/C50H33NO/c1-4-13-34(14-5-1)36-27-29-42(30-28-36)51(41-17-8-3-9-18-41)46-21-12-22-47-50(46)49-44-20-11-10-19-43(44)45(33-48(49)52-47)40-26-25-38-31-37(23-24-39(38)32-40)35-15-6-2-7-16-35/h1-33H
InChIKeyTYYOAHUJGJXMOT-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-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 170301658
3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine
CID 177130844
N-[4-(6-phenylnaphthalen-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605702
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 166566100
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 139352752
N-dibenzofuran-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine
CID 170301528
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 167183317
5-naphthalen-2-yl-N-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-3-amine
CID 176765192
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 167323696
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605841
N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-naphthalen-2-ylphenyl]phenyl]-N-phenyldibenzofuran-1-amine
CID 146583032
2-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-N,N-bis(4-phenylphenyl)aniline
CID 170301670

Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine?
The IUPAC name of N-phenyl-5-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine (CID 176808370) is N-phenyl-5-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine.
What is the SMILES notation for N-phenyl-5-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine?
The canonical SMILES for N-phenyl-5-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine is c1ccc(-c2ccc(N(c3ccccc3)c3cccc4oc5cc(-c6ccc7cc(-c8ccccc8)ccc7c6)c6ccccc6c5c34)cc2)cc1.
What is the InChIKey of N-phenyl-5-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine?
The InChIKey is TYYOAHUJGJXMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-4-13-34(14-5-1)36-27-29-42(30-28-36)51(41-17-8-3-9-18-41)46-21-12-22-47-50(46)49-44-20-11-10-19-43(44)45(33-48(49)52-47)40-26-25-38-31-37(23-24-39(38)32-40)35-15-6-2-7-16-35/h1-33H.
What are the key properties of N-phenyl-5-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine?
N-phenyl-5-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-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-phenyl-5-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine is sourced from PubChem (CID 176808370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).