N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(3-phenylphenyl)dibenzofuran-4-amine

C43H26N2O2S — CID 177082409

IUPACN-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(3-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)sc3cccc(-c5nc6ccccc6o5)c34)c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C43H26N2O2S/c1-2-11-27(12-3-1)28-13-8-14-29(25-28)45(36-19-9-16-32-31-15-4-6-20-37(31)46-42(32)36)30-23-24-33-40(26-30)48-39-22-10-17-34(41(33)39)43-44-35-18-5-7-21-38(35)47-43/h1-26H
InChIKeyIVZNFKGJYZTBIZ-UHFFFAOYSA-N
MW634.76 g/mol
LogP12.90
Rot. Bonds5

About N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(3-phenylphenyl)dibenzofuran-4-amine

N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(3-phenylphenyl)dibenzofuran-4-amine (PubChem CID 177082409) has the molecular formula C43H26N2O2S and a molecular weight of 634.76 g/mol. Its IUPAC name is N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(3-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(3-phenylphenyl)dibenzofuran-4-amine
PubChem CID177082409
Molecular FormulaC43H26N2O2S
Molecular Weight634.76 g/mol
Exact Mass634.17
IUPAC NameN-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(3-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)sc3cccc(-c5nc6ccccc6o5)c34)c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C43H26N2O2S/c1-2-11-27(12-3-1)28-13-8-14-29(25-28)45(36-19-9-16-32-31-15-4-6-20-37(31)46-42(32)36)30-23-24-33-40(26-30)48-39-22-10-17-34(41(33)39)43-44-35-18-5-7-21-38(35)47-43/h1-26H
InChIKeyIVZNFKGJYZTBIZ-UHFFFAOYSA-N
XLogP12.90
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.76
LogP ≤ 512.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-dibenzofuran-3-yl-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 177081429
N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 177082052
N-dibenzothiophen-3-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163957586
N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 177081277
N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-dibenzofuran-2-yldibenzofuran-3-amine
CID 177081402
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-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 177082451
N-dibenzothiophen-3-yl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-4-amine
CID 140943740
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(7-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 177081945
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-4-yl-N-(5-phenylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177081573
N-(9-benzo[e][1,3]benzoxazol-2-yldibenzothiophen-3-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 177082295

Frequently Asked Questions

What is the IUPAC name of N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(3-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(3-phenylphenyl)dibenzofuran-4-amine (CID 177082409) is N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(3-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(3-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(3-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2cccc(N(c3ccc4c(c3)sc3cccc(-c5nc6ccccc6o5)c34)c3cccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(3-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is IVZNFKGJYZTBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2O2S/c1-2-11-27(12-3-1)28-13-8-14-29(25-28)45(36-19-9-16-32-31-15-4-6-20-37(31)46-42(32)36)30-23-24-33-40(26-30)48-39-22-10-17-34(41(33)39)43-44-35-18-5-7-21-38(35)47-43/h1-26H.
What are the key properties of N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(3-phenylphenyl)dibenzofuran-4-amine?
N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(3-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 634.76 g/mol, XLogP of 12.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-(3-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 177082409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).