9-(4-dibenzoselenophen-4-ylphenyl)-3-[9-(4-dibenzoselenophen-4-ylphenyl)-6-(trifluoromethyl)carbazol-3-yl]-6-(trifluoromethyl)carbazole

C62H34F6N2Se2 — CID 169051925

IUPAC9-(4-dibenzoselenophen-4-ylphenyl)-3-[9-(4-dibenzoselenophen-4-ylphenyl)-6-(trifluoromethyl)carbazol-3-yl]-6-(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc(C(F)(F)F)ccc3n4-c3ccc(-c4cccc5c4[se]c4ccccc45)cc3)ccc1n2-c1ccc(-c2cccc3c2[se]c2ccccc23)cc1
InChIInChI=1S/C62H34F6N2Se2/c63-61(64,65)39-21-29-55-51(33-39)49-31-37(19-27-53(49)69(55)41-23-15-35(16-24-41)43-9-5-11-47-45-7-1-3-13-57(45)71-59(43)47)38-20-28-54-50(32-38)52-34-40(62(66,67)68)22-30-56(52)70(54)42-25-17-36(18-26-42)44-10-6-12-48-46-8-2-4-14-58(46)72-60(44)48/h1-34H
InChIKeyFPKGQQJQANTBTA-UHFFFAOYSA-N
MW1078.88 g/mol
LogP17.65
Rot. Bonds5

About 9-(4-dibenzoselenophen-4-ylphenyl)-3-[9-(4-dibenzoselenophen-4-ylphenyl)-6-(trifluoromethyl)carbazol-3-yl]-6-(trifluoromethyl)carbazole

9-(4-dibenzoselenophen-4-ylphenyl)-3-[9-(4-dibenzoselenophen-4-ylphenyl)-6-(trifluoromethyl)carbazol-3-yl]-6-(trifluoromethyl)carbazole (PubChem CID 169051925) has the molecular formula C62H34F6N2Se2 and a molecular weight of 1078.88 g/mol. Its IUPAC name is 9-(4-dibenzoselenophen-4-ylphenyl)-3-[9-(4-dibenzoselenophen-4-ylphenyl)-6-(trifluoromethyl)carbazol-3-yl]-6-(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-(4-dibenzoselenophen-4-ylphenyl)-3-[9-(4-dibenzoselenophen-4-ylphenyl)-6-(trifluoromethyl)carbazol-3-yl]-6-(trifluoromethyl)carbazole
PubChem CID169051925
Molecular FormulaC62H34F6N2Se2
Molecular Weight1078.88 g/mol
Exact Mass1080.10
IUPAC Name9-(4-dibenzoselenophen-4-ylphenyl)-3-[9-(4-dibenzoselenophen-4-ylphenyl)-6-(trifluoromethyl)carbazol-3-yl]-6-(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc(C(F)(F)F)ccc3n4-c3ccc(-c4cccc5c4[se]c4ccccc45)cc3)ccc1n2-c1ccc(-c2cccc3c2[se]c2ccccc23)cc1
InChIInChI=1S/C62H34F6N2Se2/c63-61(64,65)39-21-29-55-51(33-39)49-31-37(19-27-53(49)69(55)41-23-15-35(16-24-41)43-9-5-11-47-45-7-1-3-13-57(45)71-59(43)47)38-20-28-54-50(32-38)52-34-40(62(66,67)68)22-30-56(52)70(54)42-25-17-36(18-26-42)44-10-6-12-48-46-8-2-4-14-58(46)72-60(44)48/h1-34H
InChIKeyFPKGQQJQANTBTA-UHFFFAOYSA-N
XLogP17.65
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001078.88
LogP ≤ 517.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
3-(9H-carbazol-3-yl)-6-(trifluoromethyl)-9-[4-(trifluoromethyl)phenyl]carbazole
CID 59307060
9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dinaphthalen-1-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole
CID 59357240
2-[3-dibenzoselenophen-4-yl-5-(4-phenylphenyl)phenyl]-9-phenylcarbazole
CID 153489219
9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dinaphthalen-1-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole;9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-di(phenanthren-9-yl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole
CID 158785438
3-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole
CID 134343654
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-3-(trifluoromethyl)carbazole
CID 156509710
3-carbazol-9-yl-9-[9-[6-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazol-3-yl]carbazole
CID 170517890
3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]-9-(4-phenylphenyl)carbazole
CID 118972103
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]-3-phenylcarbazole
CID 156509854
9-[4-(9H-fluoren-3-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 159939100
9-[4-[10-[3-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58163316

Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzoselenophen-4-ylphenyl)-3-[9-(4-dibenzoselenophen-4-ylphenyl)-6-(trifluoromethyl)carbazol-3-yl]-6-(trifluoromethyl)carbazole?
The IUPAC name of 9-(4-dibenzoselenophen-4-ylphenyl)-3-[9-(4-dibenzoselenophen-4-ylphenyl)-6-(trifluoromethyl)carbazol-3-yl]-6-(trifluoromethyl)carbazole (CID 169051925) is 9-(4-dibenzoselenophen-4-ylphenyl)-3-[9-(4-dibenzoselenophen-4-ylphenyl)-6-(trifluoromethyl)carbazol-3-yl]-6-(trifluoromethyl)carbazole.
What is the SMILES notation for 9-(4-dibenzoselenophen-4-ylphenyl)-3-[9-(4-dibenzoselenophen-4-ylphenyl)-6-(trifluoromethyl)carbazol-3-yl]-6-(trifluoromethyl)carbazole?
The canonical SMILES for 9-(4-dibenzoselenophen-4-ylphenyl)-3-[9-(4-dibenzoselenophen-4-ylphenyl)-6-(trifluoromethyl)carbazol-3-yl]-6-(trifluoromethyl)carbazole is FC(F)(F)c1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc(C(F)(F)F)ccc3n4-c3ccc(-c4cccc5c4[se]c4ccccc45)cc3)ccc1n2-c1ccc(-c2cccc3c2[se]c2ccccc23)cc1.
What is the InChIKey of 9-(4-dibenzoselenophen-4-ylphenyl)-3-[9-(4-dibenzoselenophen-4-ylphenyl)-6-(trifluoromethyl)carbazol-3-yl]-6-(trifluoromethyl)carbazole?
The InChIKey is FPKGQQJQANTBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H34F6N2Se2/c63-61(64,65)39-21-29-55-51(33-39)49-31-37(19-27-53(49)69(55)41-23-15-35(16-24-41)43-9-5-11-47-45-7-1-3-13-57(45)71-59(43)47)38-20-28-54-50(32-38)52-34-40(62(66,67)68)22-30-56(52)70(54)42-25-17-36(18-26-42)44-10-6-12-48-46-8-2-4-14-58(46)72-60(44)48/h1-34H.
What are the key properties of 9-(4-dibenzoselenophen-4-ylphenyl)-3-[9-(4-dibenzoselenophen-4-ylphenyl)-6-(trifluoromethyl)carbazol-3-yl]-6-(trifluoromethyl)carbazole?
9-(4-dibenzoselenophen-4-ylphenyl)-3-[9-(4-dibenzoselenophen-4-ylphenyl)-6-(trifluoromethyl)carbazol-3-yl]-6-(trifluoromethyl)carbazole has a molecular weight of 1078.88 g/mol, XLogP of 17.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-dibenzoselenophen-4-ylphenyl)-3-[9-(4-dibenzoselenophen-4-ylphenyl)-6-(trifluoromethyl)carbazol-3-yl]-6-(trifluoromethyl)carbazole is sourced from PubChem (CID 169051925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).