6-phenyl-N,N,2-tris(4-phenylphenyl)dibenzofuran-4-amine

C54H37NO — CID 168771919

IUPAC6-phenyl-N,N,2-tris(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c4oc5c(-c6ccccc6)cccc5c4c3)cc2)cc1
InChIInChI=1S/C54H37NO/c1-5-14-38(15-6-1)41-24-26-44(27-25-41)46-36-51-50-23-13-22-49(45-20-11-4-12-21-45)53(50)56-54(51)52(37-46)55(47-32-28-42(29-33-47)39-16-7-2-8-17-39)48-34-30-43(31-35-48)40-18-9-3-10-19-40/h1-37H
InChIKeyGSTNHPSOPSDZEX-UHFFFAOYSA-N
MW715.90 g/mol
LogP15.39
Rot. Bonds8

About 6-phenyl-N,N,2-tris(4-phenylphenyl)dibenzofuran-4-amine

6-phenyl-N,N,2-tris(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 168771919) has the molecular formula C54H37NO and a molecular weight of 715.90 g/mol. Its IUPAC name is 6-phenyl-N,N,2-tris(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound Name6-phenyl-N,N,2-tris(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID168771919
Molecular FormulaC54H37NO
Molecular Weight715.90 g/mol
Exact Mass715.29
IUPAC Name6-phenyl-N,N,2-tris(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c4oc5c(-c6ccccc6)cccc5c4c3)cc2)cc1
InChIInChI=1S/C54H37NO/c1-5-14-38(15-6-1)41-24-26-44(27-25-41)46-36-51-50-23-13-22-49(45-20-11-4-12-21-45)53(50)56-54(51)52(37-46)55(47-32-28-42(29-33-47)39-16-7-2-8-17-39)48-34-30-43(31-35-48)40-18-9-3-10-19-40/h1-37H
InChIKeyGSTNHPSOPSDZEX-UHFFFAOYSA-N
XLogP15.39
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.90
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(4-naphthalen-1-ylphenyl)-2,6-diphenyldibenzofuran-4-amine
CID 168771985
N-(4-dibenzofuran-4-ylphenyl)-N,17-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-amine
CID 171433672
8,10-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 171752030
N,6-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126851
CID 174066372
CID 174066372
N-(4-naphthalen-2-ylphenyl)-2,6-diphenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine
CID 168772002
2-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167143735
4-phenyl-N-[4-[3-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121296601
N,4-diphenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402762
N-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-2,6-diphenyldibenzofuran-4-amine
CID 168771989
N-phenyl-4-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline
CID 131997663
N-phenyl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167144324

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N,N,2-tris(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of 6-phenyl-N,N,2-tris(4-phenylphenyl)dibenzofuran-4-amine (CID 168771919) is 6-phenyl-N,N,2-tris(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for 6-phenyl-N,N,2-tris(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for 6-phenyl-N,N,2-tris(4-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c4oc5c(-c6ccccc6)cccc5c4c3)cc2)cc1.
What is the InChIKey of 6-phenyl-N,N,2-tris(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is GSTNHPSOPSDZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NO/c1-5-14-38(15-6-1)41-24-26-44(27-25-41)46-36-51-50-23-13-22-49(45-20-11-4-12-21-45)53(50)56-54(51)52(37-46)55(47-32-28-42(29-33-47)39-16-7-2-8-17-39)48-34-30-43(31-35-48)40-18-9-3-10-19-40/h1-37H.
What are the key properties of 6-phenyl-N,N,2-tris(4-phenylphenyl)dibenzofuran-4-amine?
6-phenyl-N,N,2-tris(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 715.90 g/mol, XLogP of 15.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N,N,2-tris(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 168771919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).