N-dibenzofuran-3-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyldibenzofuran-4-amine

C54H33NO3 — CID 167397866

IUPACN-dibenzofuran-3-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyldibenzofuran-4-amine
SMILESc1ccc(-c2cccc3c2oc2c(N(c4ccc(-c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)cc4)c4ccc5c(c4)oc4ccccc45)cccc23)cc1
InChIInChI=1S/C54H33NO3/c1-2-10-37(11-3-1)41-14-8-15-46-47-16-9-17-48(54(47)58-53(41)46)55(40-29-31-45-43-13-5-7-19-50(43)57-52(45)33-40)39-27-24-35(25-28-39)34-20-22-36(23-21-34)38-26-30-44-42-12-4-6-18-49(42)56-51(44)32-38/h1-33H
InChIKeyVVGGCIMLHZRKKD-UHFFFAOYSA-N
MW743.86 g/mol
LogP15.86
Rot. Bonds6

About N-dibenzofuran-3-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyldibenzofuran-4-amine

N-dibenzofuran-3-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyldibenzofuran-4-amine (PubChem CID 167397866) has the molecular formula C54H33NO3 and a molecular weight of 743.86 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyldibenzofuran-4-amine
PubChem CID167397866
Molecular FormulaC54H33NO3
Molecular Weight743.86 g/mol
Exact Mass743.25
IUPAC NameN-dibenzofuran-3-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyldibenzofuran-4-amine
SMILESc1ccc(-c2cccc3c2oc2c(N(c4ccc(-c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)cc4)c4ccc5c(c4)oc4ccccc45)cccc23)cc1
InChIInChI=1S/C54H33NO3/c1-2-10-37(11-3-1)41-14-8-15-46-47-16-9-17-48(54(47)58-53(41)46)55(40-29-31-45-43-13-5-7-19-50(43)57-52(45)33-40)39-27-24-35(25-28-39)34-20-22-36(23-21-34)38-26-30-44-42-12-4-6-18-49(42)56-51(44)32-38/h1-33H
InChIKeyVVGGCIMLHZRKKD-UHFFFAOYSA-N
XLogP15.86
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.86
LogP ≤ 515.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397570
N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396874
N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397171
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 172502499
N-dibenzofuran-3-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167402059
N-dibenzofuran-3-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167144400
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788
N-dibenzofuran-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzofuran-3-amine
CID 121296704
N-dibenzofuran-3-yl-6-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167396499
N-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397725
N-dibenzofuran-3-yl-N-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)dibenzofuran-4-amine
CID 167397702
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyldibenzofuran-4-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyldibenzofuran-4-amine (CID 167397866) is N-dibenzofuran-3-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyldibenzofuran-4-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyldibenzofuran-4-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyldibenzofuran-4-amine is c1ccc(-c2cccc3c2oc2c(N(c4ccc(-c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)cc4)c4ccc5c(c4)oc4ccccc45)cccc23)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyldibenzofuran-4-amine?
The InChIKey is VVGGCIMLHZRKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NO3/c1-2-10-37(11-3-1)41-14-8-15-46-47-16-9-17-48(54(47)58-53(41)46)55(40-29-31-45-43-13-5-7-19-50(43)57-52(45)33-40)39-27-24-35(25-28-39)34-20-22-36(23-21-34)38-26-30-44-42-12-4-6-18-49(42)56-51(44)32-38/h1-33H.
What are the key properties of N-dibenzofuran-3-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyldibenzofuran-4-amine?
N-dibenzofuran-3-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyldibenzofuran-4-amine has a molecular weight of 743.86 g/mol, XLogP of 15.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyldibenzofuran-4-amine is sourced from PubChem (CID 167397866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).