9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-9-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine

C40H23N3O3 — CID 177082033

IUPAC9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-9-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2c4ccccc4ccc32)c2cc3oc4cccc(-c5nc6ccccc6o5)c4c3cn2)cc1
InChIInChI=1S/C40H23N3O3/c1-2-10-25(11-3-1)43(26-18-20-28-29-19-17-24-9-4-5-12-27(24)39(29)45-35(28)21-26)37-22-36-31(23-41-37)38-30(13-8-16-34(38)44-36)40-42-32-14-6-7-15-33(32)46-40/h1-23H
InChIKeyOHOUIDCWFDPQGO-UHFFFAOYSA-N
MW593.64 g/mol
LogP11.31
Rot. Bonds4

About 9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-9-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine

9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-9-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine (PubChem CID 177082033) has the molecular formula C40H23N3O3 and a molecular weight of 593.64 g/mol. Its IUPAC name is 9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-9-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine.

Molecular Properties

Compound Name9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-9-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine
PubChem CID177082033
Molecular FormulaC40H23N3O3
Molecular Weight593.64 g/mol
Exact Mass593.17
IUPAC Name9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-9-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2c4ccccc4ccc32)c2cc3oc4cccc(-c5nc6ccccc6o5)c4c3cn2)cc1
InChIInChI=1S/C40H23N3O3/c1-2-10-25(11-3-1)43(26-18-20-28-29-19-17-24-9-4-5-12-27(24)39(29)45-35(28)21-26)37-22-36-31(23-41-37)38-30(13-8-16-34(38)44-36)40-42-32-14-6-7-15-33(32)46-40/h1-23H
InChIKeyOHOUIDCWFDPQGO-UHFFFAOYSA-N
XLogP11.31
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.64
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-9-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine with MolForge

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Related Compounds

9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-8-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine
CID 177081834
N-[9-(1,3-benzoxazol-2-yl)dibenzoselenophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 177081963
N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 177081277
5-(1,3-benzoxazol-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 171755349
N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N-chrysen-3-ylpyridin-2-amine
CID 177081249
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
N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,9-diphenyldibenzofuran-4-amine
CID 177081811
N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-3-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-9-amine
CID 177081271
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-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 177081808
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-4-yl-N-(5-phenylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177081573

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-9-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine?
The IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-9-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine (CID 177082033) is 9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-9-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine.
What is the SMILES notation for 9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-9-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine?
The canonical SMILES for 9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-9-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine is c1ccc(N(c2ccc3c(c2)oc2c4ccccc4ccc32)c2cc3oc4cccc(-c5nc6ccccc6o5)c4c3cn2)cc1.
What is the InChIKey of 9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-9-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine?
The InChIKey is OHOUIDCWFDPQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N3O3/c1-2-10-25(11-3-1)43(26-18-20-28-29-19-17-24-9-4-5-12-27(24)39(29)45-35(28)21-26)37-22-36-31(23-41-37)38-30(13-8-16-34(38)44-36)40-42-32-14-6-7-15-33(32)46-40/h1-23H.
What are the key properties of 9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-9-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine?
9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-9-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine has a molecular weight of 593.64 g/mol, XLogP of 11.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-9-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine is sourced from PubChem (CID 177082033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).