3-N-dibenzofuran-3-yl-4,6-diphenyl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine

C66H46N2O — CID 118603848

IUPAC3-N-dibenzofuran-3-yl-4,6-diphenyl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)oc4ccccc45)c(-c4ccccc4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C66H46N2O/c1-6-18-47(19-7-1)50-30-36-55(37-31-50)67(56-38-32-51(33-39-56)48-20-8-2-9-21-48)63-46-64(62(54-26-14-5-15-27-54)45-61(63)53-24-12-4-13-25-53)68(57-40-34-52(35-41-57)49-22-10-3-11-23-49)58-42-43-60-59-28-16-17-29-65(59)69-66(60)44-58/h1-46H
InChIKeyPTWKDSZMPGMBRF-UHFFFAOYSA-N
MW883.11 g/mol
LogP18.86
Rot. Bonds11

About 3-N-dibenzofuran-3-yl-4,6-diphenyl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine

3-N-dibenzofuran-3-yl-4,6-diphenyl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine (PubChem CID 118603848) has the molecular formula C66H46N2O and a molecular weight of 883.11 g/mol. Its IUPAC name is 3-N-dibenzofuran-3-yl-4,6-diphenyl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-dibenzofuran-3-yl-4,6-diphenyl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
PubChem CID118603848
Molecular FormulaC66H46N2O
Molecular Weight883.11 g/mol
Exact Mass882.36
IUPAC Name3-N-dibenzofuran-3-yl-4,6-diphenyl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)oc4ccccc45)c(-c4ccccc4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C66H46N2O/c1-6-18-47(19-7-1)50-30-36-55(37-31-50)67(56-38-32-51(33-39-56)48-20-8-2-9-21-48)63-46-64(62(54-26-14-5-15-27-54)45-61(63)53-24-12-4-13-25-53)68(57-40-34-52(35-41-57)49-22-10-3-11-23-49)58-42-43-60-59-28-16-17-29-65(59)69-66(60)44-58/h1-46H
InChIKeyPTWKDSZMPGMBRF-UHFFFAOYSA-N
XLogP18.86
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.11
LogP ≤ 518.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-phenylphenyl)-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 155122912
N-dibenzofuran-3-yl-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 155122906
N-dibenzofuran-3-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzofuran-3-amine
CID 71126774
N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167086852
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 176611362
N-(2,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 174254314
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
4-dibenzofuran-3-yl-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-(3,4-diphenylphenyl)-6-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;4-phenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)-6-triphenylen-2-ylbenzene-1,3-diamine
CID 159052389
N-[2-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 168789729
N-(4-phenylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501001
N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 121311288
N-(4-phenylphenyl)-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 160832647

Frequently Asked Questions

What is the IUPAC name of 3-N-dibenzofuran-3-yl-4,6-diphenyl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine?
The IUPAC name of 3-N-dibenzofuran-3-yl-4,6-diphenyl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine (CID 118603848) is 3-N-dibenzofuran-3-yl-4,6-diphenyl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-dibenzofuran-3-yl-4,6-diphenyl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-dibenzofuran-3-yl-4,6-diphenyl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)oc4ccccc45)c(-c4ccccc4)cc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 3-N-dibenzofuran-3-yl-4,6-diphenyl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine?
The InChIKey is PTWKDSZMPGMBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2O/c1-6-18-47(19-7-1)50-30-36-55(37-31-50)67(56-38-32-51(33-39-56)48-20-8-2-9-21-48)63-46-64(62(54-26-14-5-15-27-54)45-61(63)53-24-12-4-13-25-53)68(57-40-34-52(35-41-57)49-22-10-3-11-23-49)58-42-43-60-59-28-16-17-29-65(59)69-66(60)44-58/h1-46H.
What are the key properties of 3-N-dibenzofuran-3-yl-4,6-diphenyl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine?
3-N-dibenzofuran-3-yl-4,6-diphenyl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine has a molecular weight of 883.11 g/mol, XLogP of 18.86, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-dibenzofuran-3-yl-4,6-diphenyl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 118603848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).