N-[9-(1,3-benzoxazol-2-yl)dibenzoselenophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine

C41H24N2O2Se — CID 177081963

IUPACN-[9-(1,3-benzoxazol-2-yl)dibenzoselenophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2c4ccccc4ccc32)c2ccc3c(c2)[se]c2cccc(-c4nc5ccccc5o4)c23)cc1
InChIInChI=1S/C41H24N2O2Se/c1-2-10-26(11-3-1)43(27-18-21-30-31-20-17-25-9-4-5-12-29(25)40(31)44-36(30)23-27)28-19-22-32-38(24-28)46-37-16-8-13-33(39(32)37)41-42-34-14-6-7-15-35(34)45-41/h1-24H
InChIKeyFDPTZKMPQNURDI-UHFFFAOYSA-N
MW655.62 g/mol
LogP11.38
Rot. Bonds4

About N-[9-(1,3-benzoxazol-2-yl)dibenzoselenophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine

N-[9-(1,3-benzoxazol-2-yl)dibenzoselenophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine (PubChem CID 177081963) has the molecular formula C41H24N2O2Se and a molecular weight of 655.62 g/mol. Its IUPAC name is N-[9-(1,3-benzoxazol-2-yl)dibenzoselenophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-[9-(1,3-benzoxazol-2-yl)dibenzoselenophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
PubChem CID177081963
Molecular FormulaC41H24N2O2Se
Molecular Weight655.62 g/mol
Exact Mass656.10
IUPAC NameN-[9-(1,3-benzoxazol-2-yl)dibenzoselenophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2c4ccccc4ccc32)c2ccc3c(c2)[se]c2cccc(-c4nc5ccccc5o4)c23)cc1
InChIInChI=1S/C41H24N2O2Se/c1-2-10-26(11-3-1)43(27-18-21-30-31-20-17-25-9-4-5-12-29(25)40(31)44-36(30)23-27)28-19-22-32-38(24-28)46-37-16-8-13-33(39(32)37)41-42-34-14-6-7-15-35(34)45-41/h1-24H
InChIKeyFDPTZKMPQNURDI-UHFFFAOYSA-N
XLogP11.38
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.62
LogP ≤ 511.38
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

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
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
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
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-[4-[5-(1,3-benzoxazol-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]-N,4-diphenylaniline
CID 171754887
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
N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,9-diphenyldibenzofuran-4-amine
CID 177081811
N-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-9-naphthalen-2-yl-N-phenyldibenzofuran-2-amine
CID 177082233
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 177081808

Frequently Asked Questions

What is the IUPAC name of N-[9-(1,3-benzoxazol-2-yl)dibenzoselenophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine?
The IUPAC name of N-[9-(1,3-benzoxazol-2-yl)dibenzoselenophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine (CID 177081963) is N-[9-(1,3-benzoxazol-2-yl)dibenzoselenophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine.
What is the SMILES notation for N-[9-(1,3-benzoxazol-2-yl)dibenzoselenophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine?
The canonical SMILES for N-[9-(1,3-benzoxazol-2-yl)dibenzoselenophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine is c1ccc(N(c2ccc3c(c2)oc2c4ccccc4ccc32)c2ccc3c(c2)[se]c2cccc(-c4nc5ccccc5o4)c23)cc1.
What is the InChIKey of N-[9-(1,3-benzoxazol-2-yl)dibenzoselenophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine?
The InChIKey is FDPTZKMPQNURDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N2O2Se/c1-2-10-26(11-3-1)43(27-18-21-30-31-20-17-25-9-4-5-12-29(25)40(31)44-36(30)23-27)28-19-22-32-38(24-28)46-37-16-8-13-33(39(32)37)41-42-34-14-6-7-15-35(34)45-41/h1-24H.
What are the key properties of N-[9-(1,3-benzoxazol-2-yl)dibenzoselenophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine?
N-[9-(1,3-benzoxazol-2-yl)dibenzoselenophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine has a molecular weight of 655.62 g/mol, XLogP of 11.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(1,3-benzoxazol-2-yl)dibenzoselenophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine is sourced from PubChem (CID 177081963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).