4-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-N,N-diphenylaniline

C40H27NSe — CID 171445746

IUPAC4-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cccc(-c4ccc5ccc6c7ccccc7[se]c6c5c4)c3)cc2)cc1
InChIInChI=1S/C40H27NSe/c1-3-12-33(13-4-1)41(34-14-5-2-6-15-34)35-23-20-28(21-24-35)30-10-9-11-31(26-30)32-19-18-29-22-25-37-36-16-7-8-17-39(36)42-40(37)38(29)27-32/h1-27H
InChIKeyPXVRDVOWEYOUOF-UHFFFAOYSA-N
MW600.62 g/mol
LogP11.01
Rot. Bonds5

About 4-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-N,N-diphenylaniline

4-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-N,N-diphenylaniline (PubChem CID 171445746) has the molecular formula C40H27NSe and a molecular weight of 600.62 g/mol. Its IUPAC name is 4-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-N,N-diphenylaniline
PubChem CID171445746
Molecular FormulaC40H27NSe
Molecular Weight600.62 g/mol
Exact Mass601.13
IUPAC Name4-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cccc(-c4ccc5ccc6c7ccccc7[se]c6c5c4)c3)cc2)cc1
InChIInChI=1S/C40H27NSe/c1-3-12-33(13-4-1)41(34-14-5-2-6-15-34)35-23-20-28(21-24-35)30-10-9-11-31(26-30)32-19-18-29-22-25-37-36-16-7-8-17-39(36)42-40(37)38(29)27-32/h1-27H
InChIKeyPXVRDVOWEYOUOF-UHFFFAOYSA-N
XLogP11.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.62
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 171445679
N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine
CID 171445650
3-naphtho[1,2-b][1]benzoselenol-8-yl-N-phenyl-N-(4-phenylphenyl)aniline
CID 171445424
N-(3,5-diphenylphenyl)-N-phenylnaphtho[1,2-b][1]benzoselenol-2-amine
CID 171445307
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
N-(3,5-diphenylphenyl)-N-phenylnaphtho[1,2-b][1]benzoselenol-8-amine
CID 171445606
4-N-(4-dibenzoselenophen-2-ylphenyl)-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 59245836
N-phenanthren-3-yl-N-phenylnaphtho[1,2-b][1]benzoselenol-3-amine
CID 171445365
N-(4-dibenzoselenophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 59245718
N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaenyl]aniline
CID 132542294
N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzoselenophen-4-amine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzoselenophen-2-amine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzoselenophen-4-amine
CID 159477091

Frequently Asked Questions

What is the IUPAC name of 4-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-N,N-diphenylaniline?
The IUPAC name of 4-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-N,N-diphenylaniline (CID 171445746) is 4-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-N,N-diphenylaniline?
The canonical SMILES for 4-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc(-c3cccc(-c4ccc5ccc6c7ccccc7[se]c6c5c4)c3)cc2)cc1.
What is the InChIKey of 4-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-N,N-diphenylaniline?
The InChIKey is PXVRDVOWEYOUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NSe/c1-3-12-33(13-4-1)41(34-14-5-2-6-15-34)35-23-20-28(21-24-35)30-10-9-11-31(26-30)32-19-18-29-22-25-37-36-16-7-8-17-39(36)42-40(37)38(29)27-32/h1-27H.
What are the key properties of 4-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-N,N-diphenylaniline?
4-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-N,N-diphenylaniline has a molecular weight of 600.62 g/mol, XLogP of 11.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-N,N-diphenylaniline is sourced from PubChem (CID 171445746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).