2-[3-dibenzoselenophen-4-yl-5-(4-phenylphenyl)phenyl]-9-phenylcarbazole

C48H31NSe — CID 153489219

IUPAC2-[3-dibenzoselenophen-4-yl-5-(4-phenylphenyl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc(-c4cccc5c4[se]c4ccccc45)c3)cc2)cc1
InChIInChI=1S/C48H31NSe/c1-3-12-32(13-4-1)33-22-24-34(25-23-33)36-28-37(30-38(29-36)40-18-11-19-44-43-17-8-10-21-47(43)50-48(40)44)35-26-27-42-41-16-7-9-20-45(41)49(46(42)31-35)39-14-5-2-6-15-39/h1-31H
InChIKeyRBOZTQHENBDTLV-UHFFFAOYSA-N
MW700.74 g/mol
LogP12.82
Rot. Bonds5

About 2-[3-dibenzoselenophen-4-yl-5-(4-phenylphenyl)phenyl]-9-phenylcarbazole

2-[3-dibenzoselenophen-4-yl-5-(4-phenylphenyl)phenyl]-9-phenylcarbazole (PubChem CID 153489219) has the molecular formula C48H31NSe and a molecular weight of 700.74 g/mol. Its IUPAC name is 2-[3-dibenzoselenophen-4-yl-5-(4-phenylphenyl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[3-dibenzoselenophen-4-yl-5-(4-phenylphenyl)phenyl]-9-phenylcarbazole
PubChem CID153489219
Molecular FormulaC48H31NSe
Molecular Weight700.74 g/mol
Exact Mass701.16
IUPAC Name2-[3-dibenzoselenophen-4-yl-5-(4-phenylphenyl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc(-c4cccc5c4[se]c4ccccc45)c3)cc2)cc1
InChIInChI=1S/C48H31NSe/c1-3-12-32(13-4-1)33-22-24-34(25-23-33)36-28-37(30-38(29-36)40-18-11-19-44-43-17-8-10-21-47(43)50-48(40)44)35-26-27-42-41-16-7-9-20-45(41)49(46(42)31-35)39-14-5-2-6-15-39/h1-31H
InChIKeyRBOZTQHENBDTLV-UHFFFAOYSA-N
XLogP12.82
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.74
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[3-dibenzoselenophen-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-9-(3-phenylphenyl)carbazole
CID 153489213
2-[3-(9,9-dimethylfluoren-2-yl)-5-(4-phenyldibenzoselenophen-2-yl)phenyl]-9-phenylcarbazole;9-phenyl-2-[3-(4-phenyldibenzoselenophen-2-yl)-5-(3-phenylphenyl)phenyl]carbazole;9-phenyl-2-[3-(4-phenyldibenzoselenophen-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 157295720
2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-(3-phenylphenyl)carbazole;2-[9-(3-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 165058453
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 138747135
9-[4-(3,5-diphenylphenyl)phenyl]-2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 135166087
2-[3-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 59858750
2-phenyl-9-[2-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]carbazole
CID 166037119
2-[2-(9-phenylcarbazol-2-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 162495147
9-phenyl-2-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129225606
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
5-(4-dibenzoselenophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 164943690
3-(4-carbazol-9-ylphenyl)-9-phenyl-6-[3-(4-phenylphenyl)phenyl]carbazole;3-(4-carbazol-9-ylphenyl)-9-phenyl-6-[4-(3-phenylphenyl)phenyl]carbazole;2-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165041671

Frequently Asked Questions

What is the IUPAC name of 2-[3-dibenzoselenophen-4-yl-5-(4-phenylphenyl)phenyl]-9-phenylcarbazole?
The IUPAC name of 2-[3-dibenzoselenophen-4-yl-5-(4-phenylphenyl)phenyl]-9-phenylcarbazole (CID 153489219) is 2-[3-dibenzoselenophen-4-yl-5-(4-phenylphenyl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 2-[3-dibenzoselenophen-4-yl-5-(4-phenylphenyl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 2-[3-dibenzoselenophen-4-yl-5-(4-phenylphenyl)phenyl]-9-phenylcarbazole is c1ccc(-c2ccc(-c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc(-c4cccc5c4[se]c4ccccc45)c3)cc2)cc1.
What is the InChIKey of 2-[3-dibenzoselenophen-4-yl-5-(4-phenylphenyl)phenyl]-9-phenylcarbazole?
The InChIKey is RBOZTQHENBDTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NSe/c1-3-12-32(13-4-1)33-22-24-34(25-23-33)36-28-37(30-38(29-36)40-18-11-19-44-43-17-8-10-21-47(43)50-48(40)44)35-26-27-42-41-16-7-9-20-45(41)49(46(42)31-35)39-14-5-2-6-15-39/h1-31H.
What are the key properties of 2-[3-dibenzoselenophen-4-yl-5-(4-phenylphenyl)phenyl]-9-phenylcarbazole?
2-[3-dibenzoselenophen-4-yl-5-(4-phenylphenyl)phenyl]-9-phenylcarbazole has a molecular weight of 700.74 g/mol, XLogP of 12.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-dibenzoselenophen-4-yl-5-(4-phenylphenyl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 153489219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).