2-(3,5-diphenylphenyl)-N,N-dinaphthalen-1-yldibenzofuran-1-amine

C50H33NO — CID 174262333

IUPAC2-(3,5-diphenylphenyl)-N,N-dinaphthalen-1-yldibenzofuran-1-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4oc5ccccc5c4c3N(c3cccc4ccccc34)c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C50H33NO/c1-3-15-34(16-4-1)38-31-39(35-17-5-2-6-18-35)33-40(32-38)43-29-30-48-49(44-25-11-12-28-47(44)52-48)50(43)51(45-26-13-21-36-19-7-9-23-41(36)45)46-27-14-22-37-20-8-10-24-42(37)46/h1-33H
InChIKeyZGAXTCVLERSFMS-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

About 2-(3,5-diphenylphenyl)-N,N-dinaphthalen-1-yldibenzofuran-1-amine

2-(3,5-diphenylphenyl)-N,N-dinaphthalen-1-yldibenzofuran-1-amine (PubChem CID 174262333) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is 2-(3,5-diphenylphenyl)-N,N-dinaphthalen-1-yldibenzofuran-1-amine.

Molecular Properties

Compound Name2-(3,5-diphenylphenyl)-N,N-dinaphthalen-1-yldibenzofuran-1-amine
PubChem CID174262333
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC Name2-(3,5-diphenylphenyl)-N,N-dinaphthalen-1-yldibenzofuran-1-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4oc5ccccc5c4c3N(c3cccc4ccccc34)c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C50H33NO/c1-3-15-34(16-4-1)38-31-39(35-17-5-2-6-18-35)33-40(32-38)43-29-30-48-49(44-25-11-12-28-47(44)52-48)50(43)51(45-26-13-21-36-19-7-9-23-41(36)45)46-27-14-22-37-20-8-10-24-42(37)46/h1-33H
InChIKeyZGAXTCVLERSFMS-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

2-(4-naphthalen-1-ylphenyl)-N,N-bis(2-phenylphenyl)dibenzofuran-1-amine
CID 174262192
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
N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 167325177
N-naphthalen-1-yl-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 172502268
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
N-naphthalen-1-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172503063
N-naphthalen-1-yl-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177280879
N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-9-(3-phenylphenyl)dibenzofuran-2-amine
CID 166055468
N-[4-[8-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzofuran-2-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 130438409
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 166566100
1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran
CID 154618828
N-(3,5-diphenylphenyl)-N-naphthalen-2-yl-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-6-amine
CID 167121367

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenylphenyl)-N,N-dinaphthalen-1-yldibenzofuran-1-amine?
The IUPAC name of 2-(3,5-diphenylphenyl)-N,N-dinaphthalen-1-yldibenzofuran-1-amine (CID 174262333) is 2-(3,5-diphenylphenyl)-N,N-dinaphthalen-1-yldibenzofuran-1-amine.
What is the SMILES notation for 2-(3,5-diphenylphenyl)-N,N-dinaphthalen-1-yldibenzofuran-1-amine?
The canonical SMILES for 2-(3,5-diphenylphenyl)-N,N-dinaphthalen-1-yldibenzofuran-1-amine is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4oc5ccccc5c4c3N(c3cccc4ccccc34)c3cccc4ccccc34)c2)cc1.
What is the InChIKey of 2-(3,5-diphenylphenyl)-N,N-dinaphthalen-1-yldibenzofuran-1-amine?
The InChIKey is ZGAXTCVLERSFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-3-15-34(16-4-1)38-31-39(35-17-5-2-6-18-35)33-40(32-38)43-29-30-48-49(44-25-11-12-28-47(44)52-48)50(43)51(45-26-13-21-36-19-7-9-23-41(36)45)46-27-14-22-37-20-8-10-24-42(37)46/h1-33H.
What are the key properties of 2-(3,5-diphenylphenyl)-N,N-dinaphthalen-1-yldibenzofuran-1-amine?
2-(3,5-diphenylphenyl)-N,N-dinaphthalen-1-yldibenzofuran-1-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 2-(3,5-diphenylphenyl)-N,N-dinaphthalen-1-yldibenzofuran-1-amine is sourced from PubChem (CID 174262333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).