9-(1,3-benzoxazol-2-yl)-N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-naphthalen-2-yldibenzofuran-4-amine

C43H30N2O2Si — CID 177082329

IUPAC9-(1,3-benzoxazol-2-yl)-N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-naphthalen-2-yldibenzofuran-4-amine
SMILESC[Si]1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3cccc4c3oc3cccc(-c5nc6ccccc6o5)c34)cc21
InChIInChI=1S/C43H30N2O2Si/c1-48(2)39-20-8-5-13-31(39)32-24-23-30(26-40(32)48)45(29-22-21-27-11-3-4-12-28(27)25-29)36-17-9-14-33-41-34(15-10-19-38(41)46-42(33)36)43-44-35-16-6-7-18-37(35)47-43/h3-26H,1-2H3
InChIKeyPXINFZGSXGKDHB-UHFFFAOYSA-N
MW634.81 g/mol
LogP10.82
Rot. Bonds4

About 9-(1,3-benzoxazol-2-yl)-N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-naphthalen-2-yldibenzofuran-4-amine

9-(1,3-benzoxazol-2-yl)-N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-naphthalen-2-yldibenzofuran-4-amine (PubChem CID 177082329) has the molecular formula C43H30N2O2Si and a molecular weight of 634.81 g/mol. Its IUPAC name is 9-(1,3-benzoxazol-2-yl)-N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-naphthalen-2-yldibenzofuran-4-amine.

Molecular Properties

Compound Name9-(1,3-benzoxazol-2-yl)-N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-naphthalen-2-yldibenzofuran-4-amine
PubChem CID177082329
Molecular FormulaC43H30N2O2Si
Molecular Weight634.81 g/mol
Exact Mass634.21
IUPAC Name9-(1,3-benzoxazol-2-yl)-N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-naphthalen-2-yldibenzofuran-4-amine
SMILESC[Si]1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3cccc4c3oc3cccc(-c5nc6ccccc6o5)c34)cc21
InChIInChI=1S/C43H30N2O2Si/c1-48(2)39-20-8-5-13-31(39)32-24-23-30(26-40(32)48)45(29-22-21-27-11-3-4-12-28(27)25-29)36-17-9-14-33-41-34(15-10-19-38(41)46-42(33)36)43-44-35-16-6-7-18-37(35)47-43/h3-26H,1-2H3
InChIKeyPXINFZGSXGKDHB-UHFFFAOYSA-N
XLogP10.82
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.81
LogP ≤ 510.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-2-yl-N-naphthalen-2-yldibenzofuran-4-amine
CID 177081370
9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-4-amine
CID 177082253
9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 177082451
9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 177081862
9-(1,3-benzoxazol-2-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 171754874
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 177081808
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(7-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 177081945
N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-naphthalen-2-yldibenzofuran-4-amine
CID 177082246
9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-2-yl-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 177082079
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177081350
N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,9-diphenyldibenzofuran-4-amine
CID 177081811
9-(1,3-benzoxazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 177081651

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-naphthalen-2-yldibenzofuran-4-amine?
The IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-naphthalen-2-yldibenzofuran-4-amine (CID 177082329) is 9-(1,3-benzoxazol-2-yl)-N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-naphthalen-2-yldibenzofuran-4-amine.
What is the SMILES notation for 9-(1,3-benzoxazol-2-yl)-N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-naphthalen-2-yldibenzofuran-4-amine?
The canonical SMILES for 9-(1,3-benzoxazol-2-yl)-N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-naphthalen-2-yldibenzofuran-4-amine is C[Si]1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3cccc4c3oc3cccc(-c5nc6ccccc6o5)c34)cc21.
What is the InChIKey of 9-(1,3-benzoxazol-2-yl)-N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-naphthalen-2-yldibenzofuran-4-amine?
The InChIKey is PXINFZGSXGKDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2O2Si/c1-48(2)39-20-8-5-13-31(39)32-24-23-30(26-40(32)48)45(29-22-21-27-11-3-4-12-28(27)25-29)36-17-9-14-33-41-34(15-10-19-38(41)46-42(33)36)43-44-35-16-6-7-18-37(35)47-43/h3-26H,1-2H3.
What are the key properties of 9-(1,3-benzoxazol-2-yl)-N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-naphthalen-2-yldibenzofuran-4-amine?
9-(1,3-benzoxazol-2-yl)-N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-naphthalen-2-yldibenzofuran-4-amine has a molecular weight of 634.81 g/mol, XLogP of 10.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,3-benzoxazol-2-yl)-N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-N-naphthalen-2-yldibenzofuran-4-amine is sourced from PubChem (CID 177082329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).