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

C50H33NO — CID 176765370

IUPACN-phenyl-N-[4-[5-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]naphthalen-2-amine
SMILESc1ccc(-c2ccc(-c3cc4oc5ccccc5c4c4cc(-c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)ccc34)cc2)cc1
InChIInChI=1S/C50H33NO/c1-3-11-34(12-4-1)36-19-21-38(22-20-36)46-33-49-50(45-17-9-10-18-48(45)52-49)47-32-40(26-30-44(46)47)37-23-27-42(28-24-37)51(41-15-5-2-6-16-41)43-29-25-35-13-7-8-14-39(35)31-43/h1-33H
InChIKeyDKSAEFFSKCCAAV-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

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

N-phenyl-N-[4-[5-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]naphthalen-2-amine (PubChem CID 176765370) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is N-phenyl-N-[4-[5-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[5-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]naphthalen-2-amine
PubChem CID176765370
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC NameN-phenyl-N-[4-[5-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]naphthalen-2-amine
SMILESc1ccc(-c2ccc(-c3cc4oc5ccccc5c4c4cc(-c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)ccc34)cc2)cc1
InChIInChI=1S/C50H33NO/c1-3-11-34(12-4-1)36-19-21-38(22-20-36)46-33-49-50(45-17-9-10-18-48(45)52-49)47-32-40(26-30-44(46)47)37-23-27-42(28-24-37)51(41-15-5-2-6-16-41)43-29-25-35-13-7-8-14-39(35)31-43/h1-33H
InChIKeyDKSAEFFSKCCAAV-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-[4-(5-naphthalen-2-ylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-N,3-diphenylaniline
CID 176765144
5-naphthalen-2-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 176765183
N-phenyl-6-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)-N-(3-phenylphenyl)naphthalen-2-amine
CID 176765434
N-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]dibenzofuran-2-amine
CID 176765348
5-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 176765247
N-(4-naphthalen-2-ylphenyl)-5-phenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176775483
N-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]naphthalen-1-amine
CID 176765298
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030394
N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)-N,4-diphenylaniline
CID 170030744
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170030567
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030395
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[5-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]naphthalen-2-amine?
The IUPAC name of N-phenyl-N-[4-[5-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]naphthalen-2-amine (CID 176765370) is N-phenyl-N-[4-[5-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]naphthalen-2-amine.
What is the SMILES notation for N-phenyl-N-[4-[5-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]naphthalen-2-amine?
The canonical SMILES for N-phenyl-N-[4-[5-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]naphthalen-2-amine is c1ccc(-c2ccc(-c3cc4oc5ccccc5c4c4cc(-c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)ccc34)cc2)cc1.
What is the InChIKey of N-phenyl-N-[4-[5-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]naphthalen-2-amine?
The InChIKey is DKSAEFFSKCCAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-3-11-34(12-4-1)36-19-21-38(22-20-36)46-33-49-50(45-17-9-10-18-48(45)52-49)47-32-40(26-30-44(46)47)37-23-27-42(28-24-37)51(41-15-5-2-6-16-41)43-29-25-35-13-7-8-14-39(35)31-43/h1-33H.
What are the key properties of N-phenyl-N-[4-[5-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]naphthalen-2-amine?
N-phenyl-N-[4-[5-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]naphthalen-2-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-N-[4-[5-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 176765370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).