N-[4-[8-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzofuran-2-yl]phenyl]-N-phenylnaphthalen-1-amine

C56H38N2O — CID 130438409

IUPACN-[4-[8-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzofuran-2-yl]phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc4oc5ccc(-c6ccc(N(c7ccccc7)c7cccc8ccccc78)cc6)cc5c4c3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C56H38N2O/c1-3-17-45(18-4-1)57(53-23-11-15-41-13-7-9-21-49(41)53)47-31-25-39(26-32-47)43-29-35-55-51(37-43)52-38-44(30-36-56(52)59-55)40-27-33-48(34-28-40)58(46-19-5-2-6-20-46)54-24-12-16-42-14-8-10-22-50(42)54/h1-38H
InChIKeyVOFUNQCERHPVFE-UHFFFAOYSA-N
MW754.93 g/mol
LogP16.17
Rot. Bonds8

About N-[4-[8-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzofuran-2-yl]phenyl]-N-phenylnaphthalen-1-amine

N-[4-[8-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzofuran-2-yl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 130438409) has the molecular formula C56H38N2O and a molecular weight of 754.93 g/mol. Its IUPAC name is N-[4-[8-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzofuran-2-yl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[8-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzofuran-2-yl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID130438409
Molecular FormulaC56H38N2O
Molecular Weight754.93 g/mol
Exact Mass754.30
IUPAC NameN-[4-[8-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzofuran-2-yl]phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc4oc5ccc(-c6ccc(N(c7ccccc7)c7cccc8ccccc78)cc6)cc5c4c3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C56H38N2O/c1-3-17-45(18-4-1)57(53-23-11-15-41-13-7-9-21-49(41)53)47-31-25-39(26-32-47)43-29-35-55-51(37-43)52-38-44(30-36-56(52)59-55)40-27-33-48(34-28-40)58(46-19-5-2-6-20-46)54-24-12-16-42-14-8-10-22-50(42)54/h1-38H
InChIKeyVOFUNQCERHPVFE-UHFFFAOYSA-N
XLogP16.17
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.93
LogP ≤ 516.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-N-[3-(8-phenyldibenzofuran-2-yl)phenyl]naphthalen-1-amine
CID 121296588
5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-tris(4-phenylphenyl)benzene-1,3,5-triamine
CID 118604922
N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 129085231
N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157368464
N-[4-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 167121502
N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]phenyl]-N-phenyldibenzofuran-2-amine;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 165024004
4-[3,5-di(dibenzofuran-2-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 160762815
3-N-(4-dibenzofuran-2-ylphenyl)-1-N,5-N-bis(3-methylphenyl)-3-N-naphthalen-1-yl-1-N,5-N-diphenylbenzene-1,3,5-triamine
CID 139393622
N-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]naphthalen-1-amine
CID 176765298
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-phenylaniline
CID 158645308
N-[4-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 121383327
N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975

Frequently Asked Questions

What is the IUPAC name of N-[4-[8-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzofuran-2-yl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-[8-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzofuran-2-yl]phenyl]-N-phenylnaphthalen-1-amine (CID 130438409) is N-[4-[8-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzofuran-2-yl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[8-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzofuran-2-yl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-[8-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzofuran-2-yl]phenyl]-N-phenylnaphthalen-1-amine is c1ccc(N(c2ccc(-c3ccc4oc5ccc(-c6ccc(N(c7ccccc7)c7cccc8ccccc78)cc6)cc5c4c3)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-[8-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzofuran-2-yl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is VOFUNQCERHPVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2O/c1-3-17-45(18-4-1)57(53-23-11-15-41-13-7-9-21-49(41)53)47-31-25-39(26-32-47)43-29-35-55-51(37-43)52-38-44(30-36-56(52)59-55)40-27-33-48(34-28-40)58(46-19-5-2-6-20-46)54-24-12-16-42-14-8-10-22-50(42)54/h1-38H.
What are the key properties of N-[4-[8-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzofuran-2-yl]phenyl]-N-phenylnaphthalen-1-amine?
N-[4-[8-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzofuran-2-yl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 754.93 g/mol, XLogP of 16.17, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[8-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzofuran-2-yl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 130438409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).