N-dibenzoselenophen-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine

C48H30N2OSe — CID 158752012

IUPACN-dibenzoselenophen-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc6c(c5)[se]c5ccccc56)c5cccc6oc7ccccc7c56)cc4)cc32)cc1
InChIInChI=1S/C48H30N2OSe/c1-2-11-33(12-3-1)50-41-16-7-4-13-36(41)37-27-23-32(29-43(37)50)31-21-24-34(25-22-31)49(35-26-28-39-38-14-6-9-20-46(38)52-47(39)30-35)42-17-10-19-45-48(42)40-15-5-8-18-44(40)51-45/h1-30H
InChIKeyAADZJPVYKACWNA-UHFFFAOYSA-N
MW729.74 g/mol
LogP13.18
Rot. Bonds5

About N-dibenzoselenophen-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine

N-dibenzoselenophen-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine (PubChem CID 158752012) has the molecular formula C48H30N2OSe and a molecular weight of 729.74 g/mol. Its IUPAC name is N-dibenzoselenophen-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-dibenzoselenophen-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine
PubChem CID158752012
Molecular FormulaC48H30N2OSe
Molecular Weight729.74 g/mol
Exact Mass730.15
IUPAC NameN-dibenzoselenophen-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc6c(c5)[se]c5ccccc56)c5cccc6oc7ccccc7c56)cc4)cc32)cc1
InChIInChI=1S/C48H30N2OSe/c1-2-11-33(12-3-1)50-41-16-7-4-13-36(41)37-27-23-32(29-43(37)50)31-21-24-34(25-22-31)49(35-26-28-39-38-14-6-9-20-46(38)52-47(39)30-35)42-17-10-19-45-48(42)40-15-5-8-18-44(40)51-45/h1-30H
InChIKeyAADZJPVYKACWNA-UHFFFAOYSA-N
XLogP13.18
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.74
LogP ≤ 513.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzoselenophen-3-amine
CID 162103702
N-(3-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 164822795
N-dibenzofuran-3-yl-N-dibenzoselenophen-3-yl-9-phenylcarbazol-2-amine
CID 159956564
N-dibenzoselenophen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-amine;N-dibenzoselenophen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;N-(2-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzoselenophen-2-amine;N-(2-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzoselenophen-2-amine
CID 158226529
N-dibenzofuran-3-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-3-amine
CID 158632127
N-dibenzofuran-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814816
N-(4-dibenzoselenophen-3-ylphenyl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-3-ylphenyl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine;N-(4-dibenzoselenophen-3-ylphenyl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 162022639
N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
CID 170033851
N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814340
N-dibenzothiophen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814386
N-(4-dibenzoselenophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-amine;N-(4-dibenzoselenophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-2-amine;N-(4-dibenzoselenophen-3-ylphenyl)-2-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;N-(4-dibenzoselenophen-3-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 160698294
N-dibenzofuran-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814779

Frequently Asked Questions

What is the IUPAC name of N-dibenzoselenophen-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-dibenzoselenophen-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine (CID 158752012) is N-dibenzoselenophen-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-dibenzoselenophen-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-dibenzoselenophen-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine is c1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc6c(c5)[se]c5ccccc56)c5cccc6oc7ccccc7c56)cc4)cc32)cc1.
What is the InChIKey of N-dibenzoselenophen-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine?
The InChIKey is AADZJPVYKACWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2OSe/c1-2-11-33(12-3-1)50-41-16-7-4-13-36(41)37-27-23-32(29-43(37)50)31-21-24-34(25-22-31)49(35-26-28-39-38-14-6-9-20-46(38)52-47(39)30-35)42-17-10-19-45-48(42)40-15-5-8-18-44(40)51-45/h1-30H.
What are the key properties of N-dibenzoselenophen-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine?
N-dibenzoselenophen-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine has a molecular weight of 729.74 g/mol, XLogP of 13.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzoselenophen-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 158752012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).