N-naphtho[1,2-b][1]benzoselenol-4-yl-N-(4-phenylphenyl)dibenzofuran-2-amine

C40H25NOSe — CID 171445713

IUPACN-naphtho[1,2-b][1]benzoselenol-4-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4c3ccc3c5ccccc5[se]c43)cc2)cc1
InChIInChI=1S/C40H25NOSe/c1-2-9-26(10-3-1)27-17-19-28(20-18-27)41(29-21-24-38-35(25-29)31-11-4-6-15-37(31)42-38)36-14-8-13-33-30(36)22-23-34-32-12-5-7-16-39(32)43-40(33)34/h1-25H
InChIKeyNWAUCOKTBLIMCT-UHFFFAOYSA-N
MW614.61 g/mol
LogP11.24
Rot. Bonds4

About N-naphtho[1,2-b][1]benzoselenol-4-yl-N-(4-phenylphenyl)dibenzofuran-2-amine

N-naphtho[1,2-b][1]benzoselenol-4-yl-N-(4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 171445713) has the molecular formula C40H25NOSe and a molecular weight of 614.61 g/mol. Its IUPAC name is N-naphtho[1,2-b][1]benzoselenol-4-yl-N-(4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-naphtho[1,2-b][1]benzoselenol-4-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
PubChem CID171445713
Molecular FormulaC40H25NOSe
Molecular Weight614.61 g/mol
Exact Mass615.11
IUPAC NameN-naphtho[1,2-b][1]benzoselenol-4-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4c3ccc3c5ccccc5[se]c43)cc2)cc1
InChIInChI=1S/C40H25NOSe/c1-2-9-26(10-3-1)27-17-19-28(20-18-27)41(29-21-24-38-35(25-29)31-11-4-6-15-37(31)42-38)36-14-8-13-33-30(36)22-23-34-32-12-5-7-16-39(32)43-40(33)34/h1-25H
InChIKeyNWAUCOKTBLIMCT-UHFFFAOYSA-N
XLogP11.24
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.61
LogP ≤ 511.24
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-naphtho[1,2-b][1]benzoselenol-7-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 171445500
1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine
CID 166917710
N-naphtho[1,2-b][1]benzoselenol-8-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 171445372
N-chrysen-1-yl-N-dibenzofuran-2-yldibenzofuran-2-amine;N-chrysen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-chrysen-3-yl-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 165048813
N-(7-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 177100194
1-N,6-N-di(dibenzofuran-2-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine
CID 58461990
N-dibenzoselenophen-4-yl-N-naphtho[1,2-b][1]benzoselenol-3-yldibenzofuran-3-amine
CID 171445354
N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]phenyl]-N-phenyldibenzofuran-2-amine;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 165024004
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 121325419
N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157238587
N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 89295821

Frequently Asked Questions

What is the IUPAC name of N-naphtho[1,2-b][1]benzoselenol-4-yl-N-(4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-naphtho[1,2-b][1]benzoselenol-4-yl-N-(4-phenylphenyl)dibenzofuran-2-amine (CID 171445713) is N-naphtho[1,2-b][1]benzoselenol-4-yl-N-(4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-naphtho[1,2-b][1]benzoselenol-4-yl-N-(4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-naphtho[1,2-b][1]benzoselenol-4-yl-N-(4-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4c3ccc3c5ccccc5[se]c43)cc2)cc1.
What is the InChIKey of N-naphtho[1,2-b][1]benzoselenol-4-yl-N-(4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is NWAUCOKTBLIMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NOSe/c1-2-9-26(10-3-1)27-17-19-28(20-18-27)41(29-21-24-38-35(25-29)31-11-4-6-15-37(31)42-38)36-14-8-13-33-30(36)22-23-34-32-12-5-7-16-39(32)43-40(33)34/h1-25H.
What are the key properties of N-naphtho[1,2-b][1]benzoselenol-4-yl-N-(4-phenylphenyl)dibenzofuran-2-amine?
N-naphtho[1,2-b][1]benzoselenol-4-yl-N-(4-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 614.61 g/mol, XLogP of 11.24, 4 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-4-yl-N-(4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 171445713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).