3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine

C78H55N3O — CID 118605058

IUPAC3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5oc6ccccc6c5c4)c3)cc2)cc1
InChIInChI=1S/C78H55N3O/c1-6-18-56(19-7-1)61-30-40-66(41-31-61)79(67-42-32-62(33-43-67)57-20-8-2-9-21-57)72-52-73(80(68-44-34-63(35-45-68)58-22-10-3-11-23-58)69-46-36-64(37-47-69)59-24-12-4-13-25-59)54-74(53-72)81(70-48-38-65(39-49-70)60-26-14-5-15-27-60)71-50-51-78-76(55-71)75-28-16-17-29-77(75)82-78/h1-55H
InChIKeyQGVVVXKMAIHOIO-UHFFFAOYSA-N
MW1050.32 g/mol
LogP22.33
Rot. Bonds14

About 3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine

3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine (PubChem CID 118605058) has the molecular formula C78H55N3O and a molecular weight of 1050.32 g/mol. Its IUPAC name is 3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine.

Molecular Properties

Compound Name3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine
PubChem CID118605058
Molecular FormulaC78H55N3O
Molecular Weight1050.32 g/mol
Exact Mass1049.43
IUPAC Name3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5oc6ccccc6c5c4)c3)cc2)cc1
InChIInChI=1S/C78H55N3O/c1-6-18-56(19-7-1)61-30-40-66(41-31-61)79(67-42-32-62(33-43-67)57-20-8-2-9-21-57)72-52-73(80(68-44-34-63(35-45-68)58-22-10-3-11-23-58)69-46-36-64(37-47-69)59-24-12-4-13-25-59)54-74(53-72)81(70-48-38-65(39-49-70)60-26-14-5-15-27-60)71-50-51-78-76(55-71)75-28-16-17-29-77(75)82-78/h1-55H
InChIKeyQGVVVXKMAIHOIO-UHFFFAOYSA-N
XLogP22.33
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001050.32
LogP ≤ 522.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine with MolForge

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Launch Full Analysis

Related Compounds

N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 121325419
N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157238587
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
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058
8-N-dibenzofuran-3-yl-2-N,8-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,8-diamine
CID 146576028
1-N,3-N,5-N-tris(4-dibenzofuran-2-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118605062
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
2-N,8-N-diphenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 145264524
N-(4-chlorophenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 142730139
N-(4-bromophenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118632283

Frequently Asked Questions

What is the IUPAC name of 3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine?
The IUPAC name of 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) is 3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine.
What is the SMILES notation for 3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine?
The canonical SMILES for 3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5oc6ccccc6c5c4)c3)cc2)cc1.
What is the InChIKey of 3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine?
The InChIKey is QGVVVXKMAIHOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H55N3O/c1-6-18-56(19-7-1)61-30-40-66(41-31-61)79(67-42-32-62(33-43-67)57-20-8-2-9-21-57)72-52-73(80(68-44-34-63(35-45-68)58-22-10-3-11-23-58)69-46-36-64(37-47-69)59-24-12-4-13-25-59)54-74(53-72)81(70-48-38-65(39-49-70)60-26-14-5-15-27-60)71-50-51-78-76(55-71)75-28-16-17-29-77(75)82-78/h1-55H.
What are the key properties of 3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine?
3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine has a molecular weight of 1050.32 g/mol, XLogP of 22.33, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine is sourced from PubChem (CID 118605058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).