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

C60H45N3O — CID 139393622

IUPAC3-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
SMILESCc1cccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3cccc(C)c3)cc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3cccc4ccccc34)c2)c1
InChIInChI=1S/C60H45N3O/c1-42-16-13-24-50(36-42)61(47-20-5-3-6-21-47)52-39-53(62(48-22-7-4-8-23-48)51-25-14-17-43(2)37-51)41-54(40-52)63(58-28-15-19-45-18-9-10-26-55(45)58)49-33-30-44(31-34-49)46-32-35-60-57(38-46)56-27-11-12-29-59(56)64-60/h3-41H,1-2H3
InChIKeyNTFQDTNYRIHBML-UHFFFAOYSA-N
MW824.04 g/mol
LogP17.43
Rot. Bonds10

About 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

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 (PubChem CID 139393622) has the molecular formula C60H45N3O and a molecular weight of 824.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID139393622
Molecular FormulaC60H45N3O
Molecular Weight824.04 g/mol
Exact Mass823.36
IUPAC Name3-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
SMILESCc1cccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3cccc(C)c3)cc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3cccc4ccccc34)c2)c1
InChIInChI=1S/C60H45N3O/c1-42-16-13-24-50(36-42)61(47-20-5-3-6-21-47)52-39-53(62(48-22-7-4-8-23-48)51-25-14-17-43(2)37-51)41-54(40-52)63(58-28-15-19-45-18-9-10-26-55(45)58)49-33-30-44(31-34-49)46-32-35-60-57(38-46)56-27-11-12-29-59(56)64-60/h3-41H,1-2H3
InChIKeyNTFQDTNYRIHBML-UHFFFAOYSA-N
XLogP17.43
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.04
LogP ≤ 517.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]benzene-1,3,5-triamine;5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N-diphenyl-5-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenyl-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzothiophen-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-3-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 160604372
N-[4-[8-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzofuran-2-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 130438409
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-phenyl-N-[3-(8-phenyldibenzofuran-2-yl)phenyl]naphthalen-1-amine
CID 121296588
1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 158590649
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-(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
3-N,3-N-bis(4-dibenzofuran-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605075
N-[4-[4-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-2-amine;N-naphthalen-1-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-4-amine;N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 157350429
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 121327922

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3cccc(C)c3)cc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3cccc4ccccc34)c2)c1.
What is the InChIKey of 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?
The InChIKey is NTFQDTNYRIHBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45N3O/c1-42-16-13-24-50(36-42)61(47-20-5-3-6-21-47)52-39-53(62(48-22-7-4-8-23-48)51-25-14-17-43(2)37-51)41-54(40-52)63(58-28-15-19-45-18-9-10-26-55(45)58)49-33-30-44(31-34-49)46-32-35-60-57(38-46)56-27-11-12-29-59(56)64-60/h3-41H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 824.04 g/mol, XLogP of 17.43, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139393622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).