N-dibenzofuran-2-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine

C42H26N2OSe — CID 158764954

IUPACN-dibenzofuran-2-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc5oc6ccccc6c5c4)c4ccc5[se]c6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C42H26N2OSe/c1-2-10-27(11-3-1)44-37-15-7-4-12-31(37)34-24-28(18-21-38(34)44)43(29-19-22-40-35(25-29)32-13-5-8-16-39(32)45-40)30-20-23-42-36(26-30)33-14-6-9-17-41(33)46-42/h1-26H
InChIKeyUNSIJMDZQJZLKI-UHFFFAOYSA-N
MW653.64 g/mol
LogP11.52
Rot. Bonds4

About N-dibenzofuran-2-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine

N-dibenzofuran-2-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine (PubChem CID 158764954) has the molecular formula C42H26N2OSe and a molecular weight of 653.64 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine
PubChem CID158764954
Molecular FormulaC42H26N2OSe
Molecular Weight653.64 g/mol
Exact Mass654.12
IUPAC NameN-dibenzofuran-2-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc5oc6ccccc6c5c4)c4ccc5[se]c6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C42H26N2OSe/c1-2-10-27(11-3-1)44-37-15-7-4-12-31(37)34-24-28(18-21-38(34)44)43(29-19-22-40-35(25-29)32-13-5-8-16-39(32)45-40)30-20-23-42-36(26-30)33-14-6-9-17-41(33)46-42/h1-26H
InChIKeyUNSIJMDZQJZLKI-UHFFFAOYSA-N
XLogP11.52
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.64
LogP ≤ 511.52
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-dibenzofuran-3-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-3-amine
CID 158632127
N-dibenzofuran-1-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-2-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-3-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-4-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine
CID 158764953
N-dibenzofuran-3-yl-N-dibenzoselenophen-3-yl-9-phenylcarbazol-2-amine
CID 159956564
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-6,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline;9-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 158901637
N-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 58510646
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-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine
CID 168809759
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118462582
N-dibenzofuran-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;4-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 158933576
N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine
CID 170041506
4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N-diphenylnaphthalene-1,4-diamine;4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 157190055
3-N-dibenzofuran-2-yl-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 176781523

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine (CID 158764954) is N-dibenzofuran-2-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine is c1ccc(-n2c3ccccc3c3cc(N(c4ccc5oc6ccccc6c5c4)c4ccc5[se]c6ccccc6c5c4)ccc32)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine?
The InChIKey is UNSIJMDZQJZLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2OSe/c1-2-10-27(11-3-1)44-37-15-7-4-12-31(37)34-24-28(18-21-38(34)44)43(29-19-22-40-35(25-29)32-13-5-8-16-39(32)45-40)30-20-23-42-36(26-30)33-14-6-9-17-41(33)46-42/h1-26H.
What are the key properties of N-dibenzofuran-2-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine?
N-dibenzofuran-2-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine has a molecular weight of 653.64 g/mol, XLogP of 11.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine is sourced from PubChem (CID 158764954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).