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

C43H26N2O3 — CID 177081811

IUPACN-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,9-diphenyldibenzofuran-4-amine
SMILESc1ccc(-c2cccc3oc4c(N(c5ccccc5)c5ccc6c(c5)oc5cccc(-c7nc8ccccc8o7)c56)cccc4c23)cc1
InChIInChI=1S/C43H26N2O3/c1-3-12-27(13-4-1)30-16-10-23-38-40(30)32-17-9-20-35(42(32)47-38)45(28-14-5-2-6-15-28)29-24-25-31-39(26-29)46-37-22-11-18-33(41(31)37)43-44-34-19-7-8-21-36(34)48-43/h1-26H
InChIKeyKLNRDTBTAGYPIH-UHFFFAOYSA-N
MW618.69 g/mol
LogP12.43
Rot. Bonds5

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

N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,9-diphenyldibenzofuran-4-amine (PubChem CID 177081811) has the molecular formula C43H26N2O3 and a molecular weight of 618.69 g/mol. Its IUPAC name is N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,9-diphenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,9-diphenyldibenzofuran-4-amine
PubChem CID177081811
Molecular FormulaC43H26N2O3
Molecular Weight618.69 g/mol
Exact Mass618.19
IUPAC NameN-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,9-diphenyldibenzofuran-4-amine
SMILESc1ccc(-c2cccc3oc4c(N(c5ccccc5)c5ccc6c(c5)oc5cccc(-c7nc8ccccc8o7)c56)cccc4c23)cc1
InChIInChI=1S/C43H26N2O3/c1-3-12-27(13-4-1)30-16-10-23-38-40(30)32-17-9-20-35(42(32)47-38)45(28-14-5-2-6-15-28)29-24-25-31-39(26-29)46-37-22-11-18-33(41(31)37)43-44-34-19-7-8-21-36(34)48-43/h1-26H
InChIKeyKLNRDTBTAGYPIH-UHFFFAOYSA-N
XLogP12.43
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.69
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 177081429
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-4-yl-N-(5-phenylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177081573
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 177082020
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-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 177082451
9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-4-amine
CID 177082253
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 177081856
9-[4-(1,3-benzoxazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 171754195
9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 177081596
9-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 177081783
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-3-yl-N-(8-phenylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177081939

Frequently Asked Questions

What is the IUPAC name of N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,9-diphenyldibenzofuran-4-amine?
The IUPAC name of N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,9-diphenyldibenzofuran-4-amine (CID 177081811) is N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,9-diphenyldibenzofuran-4-amine.
What is the SMILES notation for N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,9-diphenyldibenzofuran-4-amine?
The canonical SMILES for N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,9-diphenyldibenzofuran-4-amine is c1ccc(-c2cccc3oc4c(N(c5ccccc5)c5ccc6c(c5)oc5cccc(-c7nc8ccccc8o7)c56)cccc4c23)cc1.
What is the InChIKey of N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,9-diphenyldibenzofuran-4-amine?
The InChIKey is KLNRDTBTAGYPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2O3/c1-3-12-27(13-4-1)30-16-10-23-38-40(30)32-17-9-20-35(42(32)47-38)45(28-14-5-2-6-15-28)29-24-25-31-39(26-29)46-37-22-11-18-33(41(31)37)43-44-34-19-7-8-21-36(34)48-43/h1-26H.
What are the key properties of N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,9-diphenyldibenzofuran-4-amine?
N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,9-diphenyldibenzofuran-4-amine has a molecular weight of 618.69 g/mol, XLogP of 12.43, 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)dibenzofuran-3-yl]-N,9-diphenyldibenzofuran-4-amine is sourced from PubChem (CID 177081811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).