N-[3-[3-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine

C68H46N2O — CID 167086262

IUPACN-[3-[3-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4cccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc(-c6cccc7ccccc67)cc5)c4)c3)c3cccc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C68H46N2O/c1-2-15-47(16-3-1)53-21-10-25-60(44-53)70(65-30-14-32-67-68(65)64-28-8-9-31-66(64)71-67)61-26-12-23-55(46-61)54-22-11-24-59(45-54)69(57-39-35-49(36-40-57)56-34-33-48-17-4-5-19-52(48)43-56)58-41-37-51(38-42-58)63-29-13-20-50-18-6-7-27-62(50)63/h1-46H
InChIKeyLCKHVEYQJIJROX-UHFFFAOYSA-N
MW907.13 g/mol
LogP19.50
Rot. Bonds10

About N-[3-[3-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine

N-[3-[3-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine (PubChem CID 167086262) has the molecular formula C68H46N2O and a molecular weight of 907.13 g/mol. Its IUPAC name is N-[3-[3-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[3-[3-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
PubChem CID167086262
Molecular FormulaC68H46N2O
Molecular Weight907.13 g/mol
Exact Mass906.36
IUPAC NameN-[3-[3-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4cccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc(-c6cccc7ccccc67)cc5)c4)c3)c3cccc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C68H46N2O/c1-2-15-47(16-3-1)53-21-10-25-60(44-53)70(65-30-14-32-67-68(65)64-28-8-9-31-66(64)71-67)61-26-12-23-55(46-61)54-22-11-24-59(45-54)69(57-39-35-49(36-40-57)56-34-33-48-17-4-5-19-52(48)43-56)58-41-37-51(38-42-58)63-29-13-20-50-18-6-7-27-62(50)63/h1-46H
InChIKeyLCKHVEYQJIJROX-UHFFFAOYSA-N
XLogP19.50
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.13
LogP ≤ 519.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-naphthalen-2-ylphenyl)-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 154605759
2-dibenzofuran-1-yl-N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324594
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(3-phenanthren-2-ylphenyl)dibenzofuran-1-amine
CID 176810349
N-(4-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 154605751
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810710
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 167323696
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine
CID 167234974
N-(3-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3-(4-naphthalen-1-ylphenyl)aniline
CID 176810163
N-[4-(6-phenylnaphthalen-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605702
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605841
4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069338
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 170535022

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-[3-[3-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine (CID 167086262) is N-[3-[3-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-[3-[3-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-[3-[3-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2cccc(N(c3cccc(-c4cccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc(-c6cccc7ccccc67)cc5)c4)c3)c3cccc4oc5ccccc5c34)c2)cc1.
What is the InChIKey of N-[3-[3-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is LCKHVEYQJIJROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46N2O/c1-2-15-47(16-3-1)53-21-10-25-60(44-53)70(65-30-14-32-67-68(65)64-28-8-9-31-66(64)71-67)61-26-12-23-55(46-61)54-22-11-24-59(45-54)69(57-39-35-49(36-40-57)56-34-33-48-17-4-5-19-52(48)43-56)58-41-37-51(38-42-58)63-29-13-20-50-18-6-7-27-62(50)63/h1-46H.
What are the key properties of N-[3-[3-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine?
N-[3-[3-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 907.13 g/mol, XLogP of 19.50, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 167086262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).