N-naphtho[1,2-b][1]benzoselenol-3-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine

C38H23NOSe — CID 171445521

IUPACN-naphtho[1,2-b][1]benzoselenol-3-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine
SMILESc1ccc(N(c2ccc3c(ccc4c5ccccc5[se]c34)c2)c2ccc3c(c2)oc2cc4ccccc4cc23)cc1
InChIInChI=1S/C38H23NOSe/c1-2-10-27(11-3-1)39(28-15-18-30-26(20-28)14-17-33-32-12-6-7-13-37(32)41-38(30)33)29-16-19-31-34-21-24-8-4-5-9-25(24)22-35(34)40-36(31)23-29/h1-23H
InChIKeyXOKHIPURGWRBCB-UHFFFAOYSA-N
MW588.57 g/mol
LogP10.73
Rot. Bonds3

About N-naphtho[1,2-b][1]benzoselenol-3-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine

N-naphtho[1,2-b][1]benzoselenol-3-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine (PubChem CID 171445521) has the molecular formula C38H23NOSe and a molecular weight of 588.57 g/mol. Its IUPAC name is N-naphtho[1,2-b][1]benzoselenol-3-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine.

Molecular Properties

Compound NameN-naphtho[1,2-b][1]benzoselenol-3-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine
PubChem CID171445521
Molecular FormulaC38H23NOSe
Molecular Weight588.57 g/mol
Exact Mass589.09
IUPAC NameN-naphtho[1,2-b][1]benzoselenol-3-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine
SMILESc1ccc(N(c2ccc3c(ccc4c5ccccc5[se]c34)c2)c2ccc3c(c2)oc2cc4ccccc4cc23)cc1
InChIInChI=1S/C38H23NOSe/c1-2-10-27(11-3-1)39(28-15-18-30-26(20-28)14-17-33-32-12-6-7-13-37(32)41-38(30)33)29-16-19-31-34-21-24-8-4-5-9-25(24)22-35(34)40-36(31)23-29/h1-23H
InChIKeyXOKHIPURGWRBCB-UHFFFAOYSA-N
XLogP10.73
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.57
LogP ≤ 510.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-phenanthren-3-yl-N-phenylnaphtho[1,2-b][1]benzoselenol-3-amine
CID 171445365
N-dibenzoselenophen-4-yl-N-naphtho[1,2-b][1]benzoselenol-3-yldibenzofuran-3-amine
CID 171445354
N-naphtho[1,2-b][1]benzoselenol-8-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 171445372
8-N,23-N-di(dibenzoselenophen-4-yl)-8-N,23-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155644818
N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-3-amine
CID 171445326
N-(3,5-diphenylphenyl)-N-phenylnaphtho[1,2-b][1]benzoselenol-3-amine
CID 171445617
8-N,23-N-di(phenanthren-2-yl)-8-N,23-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155361439
N-dibenzofuran-3-yl-N-naphthalen-2-yl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine
CID 170779604
N-naphthalen-1-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 170272670
N-naphtho[2,1-b][1]benzofuran-3-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 176616843
N-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine
CID 171445480
N-benzo[c]phenanthren-6-yl-N-phenylnaphtho[2,3-b][1]benzofuran-9-amine
CID 167183214

Frequently Asked Questions

What is the IUPAC name of N-naphtho[1,2-b][1]benzoselenol-3-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine?
The IUPAC name of N-naphtho[1,2-b][1]benzoselenol-3-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine (CID 171445521) is N-naphtho[1,2-b][1]benzoselenol-3-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine.
What is the SMILES notation for N-naphtho[1,2-b][1]benzoselenol-3-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine?
The canonical SMILES for N-naphtho[1,2-b][1]benzoselenol-3-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine is c1ccc(N(c2ccc3c(ccc4c5ccccc5[se]c34)c2)c2ccc3c(c2)oc2cc4ccccc4cc23)cc1.
What is the InChIKey of N-naphtho[1,2-b][1]benzoselenol-3-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine?
The InChIKey is XOKHIPURGWRBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23NOSe/c1-2-10-27(11-3-1)39(28-15-18-30-26(20-28)14-17-33-32-12-6-7-13-37(32)41-38(30)33)29-16-19-31-34-21-24-8-4-5-9-25(24)22-35(34)40-36(31)23-29/h1-23H.
What are the key properties of N-naphtho[1,2-b][1]benzoselenol-3-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine?
N-naphtho[1,2-b][1]benzoselenol-3-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine has a molecular weight of 588.57 g/mol, XLogP of 10.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphtho[1,2-b][1]benzoselenol-3-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine is sourced from PubChem (CID 171445521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).