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

C78H53N3O2 — CID 118605075

IUPAC3-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
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c3)cc2)cc1
InChIInChI=1S/C78H53N3O2/c1-5-17-54(18-6-1)56-29-39-64(40-30-56)79(62-21-9-3-10-22-62)68-51-69(80(63-23-11-4-12-24-63)65-41-31-57(32-42-65)55-19-7-2-8-20-55)53-70(52-68)81(66-43-33-58(34-44-66)60-37-47-77-73(49-60)71-25-13-15-27-75(71)82-77)67-45-35-59(36-46-67)61-38-48-78-74(50-61)72-26-14-16-28-76(72)83-78/h1-53H
InChIKeyKJXAQKUAPOFCNV-UHFFFAOYSA-N
MW1064.30 g/mol
LogP22.56
Rot. Bonds13

About 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

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 (PubChem CID 118605075) has the molecular formula C78H53N3O2 and a molecular weight of 1064.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID118605075
Molecular FormulaC78H53N3O2
Molecular Weight1064.30 g/mol
Exact Mass1063.41
IUPAC Name3-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
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c3)cc2)cc1
InChIInChI=1S/C78H53N3O2/c1-5-17-54(18-6-1)56-29-39-64(40-30-56)79(62-21-9-3-10-22-62)68-51-69(80(63-23-11-4-12-24-63)65-41-31-57(32-42-65)55-19-7-2-8-20-55)53-70(52-68)81(66-43-33-58(34-44-66)60-37-47-77-73(49-60)71-25-13-15-27-75(71)82-77)67-45-35-59(36-46-67)61-38-48-78-74(50-61)72-26-14-16-28-76(72)83-78/h1-53H
InChIKeyKJXAQKUAPOFCNV-UHFFFAOYSA-N
XLogP22.56
TPSA36.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001064.30
LogP ≤ 522.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,3-N,5-N-tris(4-dibenzofuran-2-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118605062
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
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
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
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline
CID 58510590
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
3,5-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-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is KJXAQKUAPOFCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H53N3O2/c1-5-17-54(18-6-1)56-29-39-64(40-30-56)79(62-21-9-3-10-22-62)68-51-69(80(63-23-11-4-12-24-63)65-41-31-57(32-42-65)55-19-7-2-8-20-55)53-70(52-68)81(66-43-33-58(34-44-66)60-37-47-77-73(49-60)71-25-13-15-27-75(71)82-77)67-45-35-59(36-46-67)61-38-48-78-74(50-61)72-26-14-16-28-76(72)83-78/h1-53H.
What are the key properties of 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?
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 has a molecular weight of 1064.30 g/mol, XLogP of 22.56, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118605075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).