9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(2-phenylphenyl)dibenzofuran-2-amine

C41H26N2O2 — CID 177081784

IUPAC9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(2-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3oc4cccc(-c5nc6ccccc6o5)c4c3c2)c2cccc3ccccc23)cc1
InChIInChI=1S/C41H26N2O2/c1-2-12-27(13-3-1)30-17-6-8-20-35(30)43(36-21-10-15-28-14-4-5-16-31(28)36)29-24-25-37-33(26-29)40-32(18-11-23-39(40)44-37)41-42-34-19-7-9-22-38(34)45-41/h1-26H
InChIKeyUZXPDPFQSZDSCO-UHFFFAOYSA-N
MW578.67 g/mol
LogP11.68
Rot. Bonds5

About 9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(2-phenylphenyl)dibenzofuran-2-amine

9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(2-phenylphenyl)dibenzofuran-2-amine (PubChem CID 177081784) has the molecular formula C41H26N2O2 and a molecular weight of 578.67 g/mol. Its IUPAC name is 9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(2-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound Name9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(2-phenylphenyl)dibenzofuran-2-amine
PubChem CID177081784
Molecular FormulaC41H26N2O2
Molecular Weight578.67 g/mol
Exact Mass578.20
IUPAC Name9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(2-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3oc4cccc(-c5nc6ccccc6o5)c4c3c2)c2cccc3ccccc23)cc1
InChIInChI=1S/C41H26N2O2/c1-2-12-27(13-3-1)30-17-6-8-20-35(30)43(36-21-10-15-28-14-4-5-16-31(28)36)29-24-25-37-33(26-29)40-32(18-11-23-39(40)44-37)41-42-34-19-7-9-22-38(34)45-41/h1-26H
InChIKeyUZXPDPFQSZDSCO-UHFFFAOYSA-N
XLogP11.68
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.67
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-naphthalen-1-yldibenzofuran-2-amine
CID 177081884
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-(8-phenylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177081939
9-(1,3-benzoxazol-2-yl)-N-chrysen-3-yl-N-phenyldibenzofuran-2-amine
CID 177081356
9-(1,3-benzoxazol-2-yl)-N,N-diphenyl-17-oxatricyclo[8.7.0.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-13-amine
CID 171755445
9-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177081472
9-(1,3-benzoxazol-2-yl)-N-phenyl-N-(2-phenylphenyl)dibenzofuran-1-amine
CID 177081823
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-dibenzofuran-3-yldibenzofuran-2-amine
CID 177082383
9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 177081596
N-naphthalen-1-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172503063
9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 177082064
5-(1,3-benzoxazol-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine
CID 177081962

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(2-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(2-phenylphenyl)dibenzofuran-2-amine (CID 177081784) is 9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(2-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for 9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(2-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for 9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(2-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2ccccc2N(c2ccc3oc4cccc(-c5nc6ccccc6o5)c4c3c2)c2cccc3ccccc23)cc1.
What is the InChIKey of 9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(2-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is UZXPDPFQSZDSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2O2/c1-2-12-27(13-3-1)30-17-6-8-20-35(30)43(36-21-10-15-28-14-4-5-16-31(28)36)29-24-25-37-33(26-29)40-32(18-11-23-39(40)44-37)41-42-34-19-7-9-22-38(34)45-41/h1-26H.
What are the key properties of 9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(2-phenylphenyl)dibenzofuran-2-amine?
9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(2-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 578.67 g/mol, XLogP of 11.68, 5 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-naphthalen-1-yl-N-(2-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 177081784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).