9-phenyl-2-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole

C64H39NSe — CID 159906091

IUPAC9-phenyl-2-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4[se]c5cccc(-c6c7ccccc7c(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c7ccccc67)c5c34)c3ccccc23)cc1
InChIInChI=1S/C64H39NSe/c1-3-19-40(20-4-1)59-45-24-7-11-28-49(45)61(50-29-12-8-25-46(50)59)53-32-17-35-57-63(53)64-54(33-18-36-58(64)66-57)62-51-30-13-9-26-47(51)60(48-27-10-14-31-52(48)62)41-37-38-44-43-23-15-16-34-55(43)65(56(44)39-41)42-21-5-2-6-22-42/h1-39H
InChIKeyQNQQUFPNEFDXFA-UHFFFAOYSA-N
MW900.98 g/mol
LogP17.43
Rot. Bonds5

About 9-phenyl-2-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole

9-phenyl-2-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole (PubChem CID 159906091) has the molecular formula C64H39NSe and a molecular weight of 900.98 g/mol. Its IUPAC name is 9-phenyl-2-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-2-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole
PubChem CID159906091
Molecular FormulaC64H39NSe
Molecular Weight900.98 g/mol
Exact Mass901.22
IUPAC Name9-phenyl-2-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4[se]c5cccc(-c6c7ccccc7c(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c7ccccc67)c5c34)c3ccccc23)cc1
InChIInChI=1S/C64H39NSe/c1-3-19-40(20-4-1)59-45-24-7-11-28-49(45)61(50-29-12-8-25-46(50)59)53-32-17-35-57-63(53)64-54(33-18-36-58(64)66-57)62-51-30-13-9-26-47(51)60(48-27-10-14-31-52(48)62)41-37-38-44-43-23-15-16-34-55(43)65(56(44)39-41)42-21-5-2-6-22-42/h1-39H
InChIKeyQNQQUFPNEFDXFA-UHFFFAOYSA-N
XLogP17.43
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.98
LogP ≤ 517.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-phenyl-4-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole
CID 159906088
3-[9,10-dinaphthalen-1-yl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;2-naphthalen-1-yl-6,9,10-triphenylanthracene;2,9,10-trinaphthalen-1-yl-6-phenylanthracene
CID 160576501
9-[6-carbazol-9-yl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracen-2-yl]carbazole
CID 59219883
2-(10-phenanthren-2-ylanthracen-9-yl)-9-phenylcarbazole;9-phenanthren-2-yl-10-phenanthren-9-ylanthracene;9-phenanthren-2-yl-10-(4-phenylphenyl)anthracene;2-(10-pyren-2-ylanthracen-9-yl)pyrene
CID 159003885
2-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]-9-phenylcarbazole
CID 123489524
9-phenyl-2-[8-(9-phenylcarbazol-2-yl)-10-(6-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
CID 155334848
3-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole
CID 170517893
2-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-(2-phenylphenyl)dibenzoselenophen-1-yl]carbazole
CID 170517955
9-phenyl-3-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 146414179
3-carbazol-9-yl-9-(9-phenyldibenzoselenophen-1-yl)carbazole
CID 170518038
9-phenyl-3-[10-[8-(10-phenylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]carbazole
CID 158086462
5-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 153314337

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole?
The IUPAC name of 9-phenyl-2-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole (CID 159906091) is 9-phenyl-2-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole.
What is the SMILES notation for 9-phenyl-2-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole?
The canonical SMILES for 9-phenyl-2-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole is c1ccc(-c2c3ccccc3c(-c3cccc4[se]c5cccc(-c6c7ccccc7c(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c7ccccc67)c5c34)c3ccccc23)cc1.
What is the InChIKey of 9-phenyl-2-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole?
The InChIKey is QNQQUFPNEFDXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H39NSe/c1-3-19-40(20-4-1)59-45-24-7-11-28-49(45)61(50-29-12-8-25-46(50)59)53-32-17-35-57-63(53)64-54(33-18-36-58(64)66-57)62-51-30-13-9-26-47(51)60(48-27-10-14-31-52(48)62)41-37-38-44-43-23-15-16-34-55(43)65(56(44)39-41)42-21-5-2-6-22-42/h1-39H.
What are the key properties of 9-phenyl-2-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole?
9-phenyl-2-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole has a molecular weight of 900.98 g/mol, XLogP of 17.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-2-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole is sourced from PubChem (CID 159906091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).