9-phenyl-4-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole

C64H39NSe — CID 159906088

IUPAC9-phenyl-4-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4[se]c5cccc(-c6c7ccccc7c(-c7cccc8c7c7ccccc7n8-c7ccccc7)c7ccccc67)c5c34)c3ccccc23)cc1
InChIInChI=1S/C64H39NSe/c1-3-20-40(21-4-1)58-42-24-7-9-26-44(42)60(45-27-10-8-25-43(45)58)52-34-18-38-56-63(52)64-53(35-19-39-57(64)66-56)61-48-30-13-11-28-46(48)59(47-29-12-14-31-49(47)61)51-33-17-37-55-62(51)50-32-15-16-36-54(50)65(55)41-22-5-2-6-23-41/h1-39H
InChIKeyFXSQOSROEJVFRJ-UHFFFAOYSA-N
MW900.98 g/mol
LogP17.43
Rot. Bonds5

About 9-phenyl-4-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole

9-phenyl-4-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole (PubChem CID 159906088) has the molecular formula C64H39NSe and a molecular weight of 900.98 g/mol. Its IUPAC name is 9-phenyl-4-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-4-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole
PubChem CID159906088
Molecular FormulaC64H39NSe
Molecular Weight900.98 g/mol
Exact Mass901.22
IUPAC Name9-phenyl-4-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4[se]c5cccc(-c6c7ccccc7c(-c7cccc8c7c7ccccc7n8-c7ccccc7)c7ccccc67)c5c34)c3ccccc23)cc1
InChIInChI=1S/C64H39NSe/c1-3-20-40(21-4-1)58-42-24-7-9-26-44(42)60(45-27-10-8-25-43(45)58)52-34-18-38-56-63(52)64-53(35-19-39-57(64)66-56)61-48-30-13-11-28-46(48)59(47-29-12-14-31-49(47)61)51-33-17-37-55-62(51)50-32-15-16-36-54(50)65(55)41-22-5-2-6-23-41/h1-39H
InChIKeyFXSQOSROEJVFRJ-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-2-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole
CID 159906091
9-phenyl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]carbazole
CID 134391811
9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(3-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
CID 155333252
4-(3-methyl-2-phenylphenyl)-9-phenylcarbazole
CID 146397332
23-[4-(10-phenylanthracen-9-yl)phenyl]-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene
CID 155429764
3-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]thiophene
CID 157215852
3-carbazol-9-yl-9-(9-phenyldibenzoselenophen-1-yl)carbazole
CID 170518038
4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
CID 166037163
21-naphthalen-1-yl-27-phenyl-27-azaheptacyclo[12.11.1.16,9.02,7.08,13.015,20.022,26]heptacosa-1(25),2(7),3,5,8(13),9,11,14(26),15,17,19,21,23-tridecaene
CID 170226043
9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]carbazole
CID 155333886
9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
CID 155333113
4-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176744678

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-4-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole?
The IUPAC name of 9-phenyl-4-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole (CID 159906088) is 9-phenyl-4-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole.
What is the SMILES notation for 9-phenyl-4-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole?
The canonical SMILES for 9-phenyl-4-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole is c1ccc(-c2c3ccccc3c(-c3cccc4[se]c5cccc(-c6c7ccccc7c(-c7cccc8c7c7ccccc7n8-c7ccccc7)c7ccccc67)c5c34)c3ccccc23)cc1.
What is the InChIKey of 9-phenyl-4-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole?
The InChIKey is FXSQOSROEJVFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H39NSe/c1-3-20-40(21-4-1)58-42-24-7-9-26-44(42)60(45-27-10-8-25-43(45)58)52-34-18-38-56-63(52)64-53(35-19-39-57(64)66-56)61-48-30-13-11-28-46(48)59(47-29-12-14-31-49(47)61)51-33-17-37-55-62(51)50-32-15-16-36-54(50)65(55)41-22-5-2-6-23-41/h1-39H.
What are the key properties of 9-phenyl-4-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole?
9-phenyl-4-[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-4-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole is sourced from PubChem (CID 159906088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).