N-naphthalen-2-yl-7-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine

C50H33NO — CID 155423671

IUPACN-naphthalen-2-yl-7-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cc4c(oc5cccc(-c6ccccc6-c6ccccc6)c54)c4ccccc34)cc2)cc1
InChIInChI=1S/C50H33NO/c1-3-14-34(15-4-1)36-26-29-39(30-27-36)51(40-31-28-35-16-7-8-19-38(35)32-40)47-33-46-49-44(42-21-10-9-20-41(42)37-17-5-2-6-18-37)24-13-25-48(49)52-50(46)45-23-12-11-22-43(45)47/h1-33H
InChIKeyDCKLJRSBQAITHB-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

About N-naphthalen-2-yl-7-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine

N-naphthalen-2-yl-7-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine (PubChem CID 155423671) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is N-naphthalen-2-yl-7-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-7-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
PubChem CID155423671
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC NameN-naphthalen-2-yl-7-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cc4c(oc5cccc(-c6ccccc6-c6ccccc6)c54)c4ccccc34)cc2)cc1
InChIInChI=1S/C50H33NO/c1-3-14-34(15-4-1)36-26-29-39(30-27-36)51(40-31-28-35-16-7-8-19-38(35)32-40)47-33-46-49-44(42-21-10-9-20-41(42)37-17-5-2-6-18-37)24-13-25-48(49)52-50(46)45-23-12-11-22-43(45)47/h1-33H
InChIKeyDCKLJRSBQAITHB-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-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423922
N,N-bis(4-phenylphenyl)-7-[3-(N-(4-phenylphenyl)anilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine;N,N-diphenyl-7-[3-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine;N-naphthalen-2-yl-N-phenyl-7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine;7-[3-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 158142050
N-naphthalen-2-yl-N,7-bis(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423356
7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155424007
7-[3-(N-naphthalen-2-ylanilino)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-5-amine
CID 155423803
N-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155424002
N-naphthalen-1-yl-7-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155423836
7-naphthalen-2-yl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;7-naphthalen-2-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;7-naphthalen-2-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 159261204
N-naphthalen-2-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
CID 172501495
7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155423525
7-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423690
N-naphthalen-2-yl-N,7-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;N-naphthalen-1-yl-N-(2-phenylphenyl)-7-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;N-naphthalen-2-yl-N-(2-phenylphenyl)-7-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;N-naphthalen-2-yl-7-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 159633429

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-7-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
The IUPAC name of N-naphthalen-2-yl-7-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine (CID 155423671) is N-naphthalen-2-yl-7-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine.
What is the SMILES notation for N-naphthalen-2-yl-7-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
The canonical SMILES for N-naphthalen-2-yl-7-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine is c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cc4c(oc5cccc(-c6ccccc6-c6ccccc6)c54)c4ccccc34)cc2)cc1.
What is the InChIKey of N-naphthalen-2-yl-7-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
The InChIKey is DCKLJRSBQAITHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-3-14-34(15-4-1)36-26-29-39(30-27-36)51(40-31-28-35-16-7-8-19-38(35)32-40)47-33-46-49-44(42-21-10-9-20-41(42)37-17-5-2-6-18-37)24-13-25-48(49)52-50(46)45-23-12-11-22-43(45)47/h1-33H.
What are the key properties of N-naphthalen-2-yl-7-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
N-naphthalen-2-yl-7-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-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-naphthalen-2-yl-7-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine is sourced from PubChem (CID 155423671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).