1-N,3-N,5-N-tris(4-dibenzofuran-2-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine

C78H51N3O3 — CID 118605062

IUPAC1-N,3-N,5-N-tris(4-dibenzofuran-2-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
SMILESc1ccc(N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2cc(N(c3ccccc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc(N(c3ccccc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c2)cc1
InChIInChI=1S/C78H51N3O3/c1-4-16-58(17-5-1)79(61-37-28-52(29-38-61)55-34-43-76-70(46-55)67-22-10-13-25-73(67)82-76)64-49-65(80(59-18-6-2-7-19-59)62-39-30-53(31-40-62)56-35-44-77-71(47-56)68-23-11-14-26-74(68)83-77)51-66(50-64)81(60-20-8-3-9-21-60)63-41-32-54(33-42-63)57-36-45-78-72(48-57)69-24-12-15-27-75(69)84-78/h1-51H
InChIKeyVNMSQDLKSYMDLY-UHFFFAOYSA-N
MW1078.28 g/mol
LogP22.80
Rot. Bonds12

About 1-N,3-N,5-N-tris(4-dibenzofuran-2-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine

1-N,3-N,5-N-tris(4-dibenzofuran-2-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine (PubChem CID 118605062) has the molecular formula C78H51N3O3 and a molecular weight of 1078.28 g/mol. Its IUPAC name is 1-N,3-N,5-N-tris(4-dibenzofuran-2-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine.

Molecular Properties

Compound Name1-N,3-N,5-N-tris(4-dibenzofuran-2-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
PubChem CID118605062
Molecular FormulaC78H51N3O3
Molecular Weight1078.28 g/mol
Exact Mass1077.39
IUPAC Name1-N,3-N,5-N-tris(4-dibenzofuran-2-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
SMILESc1ccc(N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2cc(N(c3ccccc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc(N(c3ccccc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c2)cc1
InChIInChI=1S/C78H51N3O3/c1-4-16-58(17-5-1)79(61-37-28-52(29-38-61)55-34-43-76-70(46-55)67-22-10-13-25-73(67)82-76)64-49-65(80(59-18-6-2-7-19-59)62-39-30-53(31-40-62)56-35-44-77-71(47-56)68-23-11-14-26-74(68)83-77)51-66(50-64)81(60-20-8-3-9-21-60)63-41-32-54(33-42-63)57-36-45-78-72(48-57)69-24-12-15-27-75(69)84-78/h1-51H
InChIKeyVNMSQDLKSYMDLY-UHFFFAOYSA-N
XLogP22.80
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001078.28
LogP ≤ 522.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline
CID 58510590
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 121327922
N-(4-dibenzofuran-2-ylphenyl)-3,5-diphenyl-N-(4-phenylphenyl)aniline
CID 118405810
3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605058
3,5-di(dibenzofuran-2-yl)-N,N-diphenylaniline
CID 121449955
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
N,4-diphenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]aniline;4-phenyl-N,N-bis(4-phenylphenyl)aniline;4-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 158000824
3-dibenzofuran-2-yl-N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)aniline
CID 118428337
3-N-dibenzofuran-4-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 139393694
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 59022088

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,5-N-tris(4-dibenzofuran-2-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
The IUPAC name of 1-N,3-N,5-N-tris(4-dibenzofuran-2-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine (CID 118605062) is 1-N,3-N,5-N-tris(4-dibenzofuran-2-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine.
What is the SMILES notation for 1-N,3-N,5-N-tris(4-dibenzofuran-2-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
The canonical SMILES for 1-N,3-N,5-N-tris(4-dibenzofuran-2-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine is c1ccc(N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2cc(N(c3ccccc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc(N(c3ccccc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c2)cc1.
What is the InChIKey of 1-N,3-N,5-N-tris(4-dibenzofuran-2-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
The InChIKey is VNMSQDLKSYMDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H51N3O3/c1-4-16-58(17-5-1)79(61-37-28-52(29-38-61)55-34-43-76-70(46-55)67-22-10-13-25-73(67)82-76)64-49-65(80(59-18-6-2-7-19-59)62-39-30-53(31-40-62)56-35-44-77-71(47-56)68-23-11-14-26-74(68)83-77)51-66(50-64)81(60-20-8-3-9-21-60)63-41-32-54(33-42-63)57-36-45-78-72(48-57)69-24-12-15-27-75(69)84-78/h1-51H.
What are the key properties of 1-N,3-N,5-N-tris(4-dibenzofuran-2-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
1-N,3-N,5-N-tris(4-dibenzofuran-2-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine has a molecular weight of 1078.28 g/mol, XLogP of 22.80, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,5-N-tris(4-dibenzofuran-2-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine is sourced from PubChem (CID 118605062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).