N-dibenzoselenophen-2-yl-N-phenanthren-9-yl-9-phenylcarbazol-2-amine

C44H28N2Se — CID 158454155

IUPACN-dibenzoselenophen-2-yl-N-phenanthren-9-yl-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5[se]c6ccccc6c5c4)c4cc5ccccc5c5ccccc45)cc32)cc1
InChIInChI=1S/C44H28N2Se/c1-2-13-30(14-3-1)46-40-20-10-8-18-36(40)37-24-22-32(28-42(37)46)45(31-23-25-44-39(27-31)38-19-9-11-21-43(38)47-44)41-26-29-12-4-5-15-33(29)34-16-6-7-17-35(34)41/h1-28H
InChIKeyZZXWKEWOBYSTPO-UHFFFAOYSA-N
MW663.68 g/mol
LogP11.92
Rot. Bonds4

About N-dibenzoselenophen-2-yl-N-phenanthren-9-yl-9-phenylcarbazol-2-amine

N-dibenzoselenophen-2-yl-N-phenanthren-9-yl-9-phenylcarbazol-2-amine (PubChem CID 158454155) has the molecular formula C44H28N2Se and a molecular weight of 663.68 g/mol. Its IUPAC name is N-dibenzoselenophen-2-yl-N-phenanthren-9-yl-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-dibenzoselenophen-2-yl-N-phenanthren-9-yl-9-phenylcarbazol-2-amine
PubChem CID158454155
Molecular FormulaC44H28N2Se
Molecular Weight663.68 g/mol
Exact Mass664.14
IUPAC NameN-dibenzoselenophen-2-yl-N-phenanthren-9-yl-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5[se]c6ccccc6c5c4)c4cc5ccccc5c5ccccc45)cc32)cc1
InChIInChI=1S/C44H28N2Se/c1-2-13-30(14-3-1)46-40-20-10-8-18-36(40)37-24-22-32(28-42(37)46)45(31-23-25-44-39(27-31)38-19-9-11-21-43(38)47-44)41-26-29-12-4-5-15-33(29)34-16-6-7-17-35(34)41/h1-28H
InChIKeyZZXWKEWOBYSTPO-UHFFFAOYSA-N
XLogP11.92
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.68
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-N-phenanthren-9-yl-1-N-phenyl-1-N,3-N-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 170410427
N-chrysen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 170138786
N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzoselenophen-3-amine
CID 162103702
N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenanthren-9-ylcarbazol-2-amine
CID 169063057
1-N-chrysen-2-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 170410465
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-chrysen-5-yl-N,9-diphenylcarbazol-3-amine
CID 170138928
N-dibenzofuran-2-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine
CID 158764954
N-dibenzofuran-3-yl-N-dibenzoselenophen-3-yl-9-phenylcarbazol-2-amine
CID 159956564
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 59470040
N-chrysen-2-yl-N,9-diphenylcarbazol-3-amine
CID 170138733
4-N-chrysen-1-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 170410319

Frequently Asked Questions

What is the IUPAC name of N-dibenzoselenophen-2-yl-N-phenanthren-9-yl-9-phenylcarbazol-2-amine?
The IUPAC name of N-dibenzoselenophen-2-yl-N-phenanthren-9-yl-9-phenylcarbazol-2-amine (CID 158454155) is N-dibenzoselenophen-2-yl-N-phenanthren-9-yl-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-dibenzoselenophen-2-yl-N-phenanthren-9-yl-9-phenylcarbazol-2-amine?
The canonical SMILES for N-dibenzoselenophen-2-yl-N-phenanthren-9-yl-9-phenylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5[se]c6ccccc6c5c4)c4cc5ccccc5c5ccccc45)cc32)cc1.
What is the InChIKey of N-dibenzoselenophen-2-yl-N-phenanthren-9-yl-9-phenylcarbazol-2-amine?
The InChIKey is ZZXWKEWOBYSTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2Se/c1-2-13-30(14-3-1)46-40-20-10-8-18-36(40)37-24-22-32(28-42(37)46)45(31-23-25-44-39(27-31)38-19-9-11-21-43(38)47-44)41-26-29-12-4-5-15-33(29)34-16-6-7-17-35(34)41/h1-28H.
What are the key properties of N-dibenzoselenophen-2-yl-N-phenanthren-9-yl-9-phenylcarbazol-2-amine?
N-dibenzoselenophen-2-yl-N-phenanthren-9-yl-9-phenylcarbazol-2-amine has a molecular weight of 663.68 g/mol, XLogP of 11.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzoselenophen-2-yl-N-phenanthren-9-yl-9-phenylcarbazol-2-amine is sourced from PubChem (CID 158454155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).