9-[3-[10-(7-dibenzofuran-2-yltriphenylen-2-yl)triphenylen-2-yl]-5-triphenylen-2-ylphenyl]carbazole

C84H49NO — CID 155257341

IUPAC9-[3-[10-(7-dibenzofuran-2-yltriphenylen-2-yl)triphenylen-2-yl]-5-triphenylen-2-ylphenyl]carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c5ccc(-c6ccc7c8cc(-c9cc(-c%10ccc%11c%12ccccc%12c%12ccccc%12c%11c%10)cc(-n%10c%11ccccc%11c%11ccccc%11%10)c9)ccc8c8ccccc8c7c6)cc5c5ccccc5c4c3)cc12
InChIInChI=1S/C84H49NO/c1-2-17-61-59(15-1)60-16-3-5-19-63(60)77-47-54(32-37-67(61)77)56-41-57(43-58(42-56)85-81-26-12-9-23-72(81)73-24-10-13-27-82(73)85)55-33-38-68-62-18-4-6-20-64(62)78-46-51(31-39-71(78)79(68)48-55)50-29-35-69-70-36-30-52(45-76(70)66-22-8-7-21-65(66)75(69)44-50)53-34-40-84-80(49-53)74-25-11-14-28-83(74)86-84/h1-49H
InChIKeyHGPPGWZRUVYRDQ-UHFFFAOYSA-N
MW1088.32 g/mol
LogP23.73
Rot. Bonds5

About 9-[3-[10-(7-dibenzofuran-2-yltriphenylen-2-yl)triphenylen-2-yl]-5-triphenylen-2-ylphenyl]carbazole

9-[3-[10-(7-dibenzofuran-2-yltriphenylen-2-yl)triphenylen-2-yl]-5-triphenylen-2-ylphenyl]carbazole (PubChem CID 155257341) has the molecular formula C84H49NO and a molecular weight of 1088.32 g/mol. Its IUPAC name is 9-[3-[10-(7-dibenzofuran-2-yltriphenylen-2-yl)triphenylen-2-yl]-5-triphenylen-2-ylphenyl]carbazole.

Molecular Properties

Compound Name9-[3-[10-(7-dibenzofuran-2-yltriphenylen-2-yl)triphenylen-2-yl]-5-triphenylen-2-ylphenyl]carbazole
PubChem CID155257341
Molecular FormulaC84H49NO
Molecular Weight1088.32 g/mol
Exact Mass1087.38
IUPAC Name9-[3-[10-(7-dibenzofuran-2-yltriphenylen-2-yl)triphenylen-2-yl]-5-triphenylen-2-ylphenyl]carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c5ccc(-c6ccc7c8cc(-c9cc(-c%10ccc%11c%12ccccc%12c%12ccccc%12c%11c%10)cc(-n%10c%11ccccc%11c%11ccccc%11%10)c9)ccc8c8ccccc8c7c6)cc5c5ccccc5c4c3)cc12
InChIInChI=1S/C84H49NO/c1-2-17-61-59(15-1)60-16-3-5-19-63(60)77-47-54(32-37-67(61)77)56-41-57(43-58(42-56)85-81-26-12-9-23-72(81)73-24-10-13-27-82(73)85)55-33-38-68-62-18-4-6-20-64(62)78-46-51(31-39-71(78)79(68)48-55)50-29-35-69-70-36-30-52(45-76(70)66-22-8-7-21-65(66)75(69)44-50)53-34-40-84-80(49-53)74-25-11-14-28-83(74)86-84/h1-49H
InChIKeyHGPPGWZRUVYRDQ-UHFFFAOYSA-N
XLogP23.73
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001088.32
LogP ≤ 523.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-[3-[3-[3-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 90265507
9-[3,5-bis(6-deuteriodibenzofuran-2-yl)phenyl]carbazole
CID 166046948
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3,5-diphenylphenyl)carbazole
CID 71100014
5-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 171612138
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 163531288
9-(4-dibenzofuran-2-ylphenyl)carbazole
CID 130326818
9-[3-dibenzofuran-2-yl-5-(4-dibenzothiophen-3-ylphenyl)phenyl]carbazole
CID 121449385
2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran
CID 118490746
2-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzofuran;9-[3,5-di(dibenzofuran-2-yl)phenyl]carbazole;2-[3,5-di(dibenzothiophen-2-yl)phenyl]dibenzofuran
CID 162164697
9-[3-carbazol-9-yl-5-(2-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 155120118
3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole
CID 118504725
3-carbazol-9-yl-9-[3-phenyl-5-(8-phenyldibenzofuran-2-yl)phenyl]carbazole;3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-6,9-diphenylcarbazole;3-dibenzofuran-2-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 159930551

Frequently Asked Questions

What is the IUPAC name of 9-[3-[10-(7-dibenzofuran-2-yltriphenylen-2-yl)triphenylen-2-yl]-5-triphenylen-2-ylphenyl]carbazole?
The IUPAC name of 9-[3-[10-(7-dibenzofuran-2-yltriphenylen-2-yl)triphenylen-2-yl]-5-triphenylen-2-ylphenyl]carbazole (CID 155257341) is 9-[3-[10-(7-dibenzofuran-2-yltriphenylen-2-yl)triphenylen-2-yl]-5-triphenylen-2-ylphenyl]carbazole.
What is the SMILES notation for 9-[3-[10-(7-dibenzofuran-2-yltriphenylen-2-yl)triphenylen-2-yl]-5-triphenylen-2-ylphenyl]carbazole?
The canonical SMILES for 9-[3-[10-(7-dibenzofuran-2-yltriphenylen-2-yl)triphenylen-2-yl]-5-triphenylen-2-ylphenyl]carbazole is c1ccc2c(c1)oc1ccc(-c3ccc4c5ccc(-c6ccc7c8cc(-c9cc(-c%10ccc%11c%12ccccc%12c%12ccccc%12c%11c%10)cc(-n%10c%11ccccc%11c%11ccccc%11%10)c9)ccc8c8ccccc8c7c6)cc5c5ccccc5c4c3)cc12.
What is the InChIKey of 9-[3-[10-(7-dibenzofuran-2-yltriphenylen-2-yl)triphenylen-2-yl]-5-triphenylen-2-ylphenyl]carbazole?
The InChIKey is HGPPGWZRUVYRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H49NO/c1-2-17-61-59(15-1)60-16-3-5-19-63(60)77-47-54(32-37-67(61)77)56-41-57(43-58(42-56)85-81-26-12-9-23-72(81)73-24-10-13-27-82(73)85)55-33-38-68-62-18-4-6-20-64(62)78-46-51(31-39-71(78)79(68)48-55)50-29-35-69-70-36-30-52(45-76(70)66-22-8-7-21-65(66)75(69)44-50)53-34-40-84-80(49-53)74-25-11-14-28-83(74)86-84/h1-49H.
What are the key properties of 9-[3-[10-(7-dibenzofuran-2-yltriphenylen-2-yl)triphenylen-2-yl]-5-triphenylen-2-ylphenyl]carbazole?
9-[3-[10-(7-dibenzofuran-2-yltriphenylen-2-yl)triphenylen-2-yl]-5-triphenylen-2-ylphenyl]carbazole has a molecular weight of 1088.32 g/mol, XLogP of 23.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[10-(7-dibenzofuran-2-yltriphenylen-2-yl)triphenylen-2-yl]-5-triphenylen-2-ylphenyl]carbazole is sourced from PubChem (CID 155257341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).