N-dibenzofuran-3-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-3-amine

C48H30N2OSe — CID 158632127

IUPACN-dibenzofuran-3-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccc6[se]c7ccccc7c6c5)cc4)c4ccc5c(c4)oc4ccccc45)ccc32)cc1
InChIInChI=1S/C48H30N2OSe/c1-2-10-33(11-3-1)50-43-15-7-4-12-37(43)41-29-35(24-26-44(41)50)49(36-23-25-39-38-13-5-8-16-45(38)51-46(39)30-36)34-21-18-31(19-22-34)32-20-27-48-42(28-32)40-14-6-9-17-47(40)52-48/h1-30H
InChIKeyCNPSSFZEKATLLE-UHFFFAOYSA-N
MW729.74 g/mol
LogP13.18
Rot. Bonds5

About N-dibenzofuran-3-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-3-amine

N-dibenzofuran-3-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-3-amine (PubChem CID 158632127) has the molecular formula C48H30N2OSe and a molecular weight of 729.74 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-3-amine
PubChem CID158632127
Molecular FormulaC48H30N2OSe
Molecular Weight729.74 g/mol
Exact Mass730.15
IUPAC NameN-dibenzofuran-3-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccc6[se]c7ccccc7c6c5)cc4)c4ccc5c(c4)oc4ccccc45)ccc32)cc1
InChIInChI=1S/C48H30N2OSe/c1-2-10-33(11-3-1)50-43-15-7-4-12-37(43)41-29-35(24-26-44(41)50)49(36-23-25-39-38-13-5-8-16-45(38)51-46(39)30-36)34-21-18-31(19-22-34)32-20-27-48-42(28-32)40-14-6-9-17-47(40)52-48/h1-30H
InChIKeyCNPSSFZEKATLLE-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-dibenzofuran-2-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine
CID 158764954
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzofuran-3-amine
CID 129085164
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161469744
N-dibenzofuran-3-yl-N-dibenzoselenophen-3-yl-9-phenylcarbazol-2-amine
CID 159956564
7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410174
N-[4-(6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 90194656
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-dibenzofuran-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814816
N-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 58510646
N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine
CID 164831591
3-N,7-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410173
N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 90376825

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-3-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-3-amine (CID 158632127) is N-dibenzofuran-3-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-3-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-3-amine is c1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccc6[se]c7ccccc7c6c5)cc4)c4ccc5c(c4)oc4ccccc45)ccc32)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-3-amine?
The InChIKey is CNPSSFZEKATLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2OSe/c1-2-10-33(11-3-1)50-43-15-7-4-12-37(43)41-29-35(24-26-44(41)50)49(36-23-25-39-38-13-5-8-16-45(38)51-46(39)30-36)34-21-18-31(19-22-34)32-20-27-48-42(28-32)40-14-6-9-17-47(40)52-48/h1-30H.
What are the key properties of N-dibenzofuran-3-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-3-amine?
N-dibenzofuran-3-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-3-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-dibenzofuran-3-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-3-amine is sourced from PubChem (CID 158632127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).