2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole

C84H55N7OS3 — CID 118474430

IUPAC2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole
SMILESCn1c(-c2ccccc2)cnc1-c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(-c5ncc(-c6ccccc6)n5C)c4)ccc2n3-c2cc(-c3ncc(-c4ccccc4)s3)c3oc4c(-c5ccc(-c6ccccc6)s5)cc(-c5ncc(-c6ccccc6)s5)cc4c3c2)c1
InChIInChI=1S/C84H55N7OS3/c1-89-73(52-20-8-3-9-21-52)48-85-81(89)61-32-18-30-57(40-61)59-34-36-71-65(42-59)66-43-60(58-31-19-33-62(41-58)82-86-49-74(90(82)2)53-22-10-4-11-23-53)35-37-72(66)91(71)64-46-68-67-44-63(83-87-50-77(94-83)55-26-14-6-15-27-55)45-69(76-39-38-75(93-76)54-24-12-5-13-25-54)79(67)92-80(68)70(47-64)84-88-51-78(95-84)56-28-16-7-17-29-56/h3-51H,1-2H3
InChIKeyMIRIYBQGOXGMIX-UHFFFAOYSA-N
MW1274.61 g/mol
LogP23.13
Rot. Bonds13

About 2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole

2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole (PubChem CID 118474430) has the molecular formula C84H55N7OS3 and a molecular weight of 1274.61 g/mol. Its IUPAC name is 2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole
PubChem CID118474430
Molecular FormulaC84H55N7OS3
Molecular Weight1274.61 g/mol
Exact Mass1273.36
IUPAC Name2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole
SMILESCn1c(-c2ccccc2)cnc1-c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(-c5ncc(-c6ccccc6)n5C)c4)ccc2n3-c2cc(-c3ncc(-c4ccccc4)s3)c3oc4c(-c5ccc(-c6ccccc6)s5)cc(-c5ncc(-c6ccccc6)s5)cc4c3c2)c1
InChIInChI=1S/C84H55N7OS3/c1-89-73(52-20-8-3-9-21-52)48-85-81(89)61-32-18-30-57(40-61)59-34-36-71-65(42-59)66-43-60(58-31-19-33-62(41-58)82-86-49-74(90(82)2)53-22-10-4-11-23-53)35-37-72(66)91(71)64-46-68-67-44-63(83-87-50-77(94-83)55-26-14-6-15-27-55)45-69(76-39-38-75(93-76)54-24-12-5-13-25-54)79(67)92-80(68)70(47-64)84-88-51-78(95-84)56-28-16-7-17-29-56/h3-51H,1-2H3
InChIKeyMIRIYBQGOXGMIX-UHFFFAOYSA-N
XLogP23.13
TPSA79.49 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001274.61
LogP ≤ 523.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole?
The IUPAC name of 2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole (CID 118474430) is 2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole?
The canonical SMILES for 2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole is Cn1c(-c2ccccc2)cnc1-c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(-c5ncc(-c6ccccc6)n5C)c4)ccc2n3-c2cc(-c3ncc(-c4ccccc4)s3)c3oc4c(-c5ccc(-c6ccccc6)s5)cc(-c5ncc(-c6ccccc6)s5)cc4c3c2)c1.
What is the InChIKey of 2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole?
The InChIKey is MIRIYBQGOXGMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H55N7OS3/c1-89-73(52-20-8-3-9-21-52)48-85-81(89)61-32-18-30-57(40-61)59-34-36-71-65(42-59)66-43-60(58-31-19-33-62(41-58)82-86-49-74(90(82)2)53-22-10-4-11-23-53)35-37-72(66)91(71)64-46-68-67-44-63(83-87-50-77(94-83)55-26-14-6-15-27-55)45-69(76-39-38-75(93-76)54-24-12-5-13-25-54)79(67)92-80(68)70(47-64)84-88-51-78(95-84)56-28-16-7-17-29-56/h3-51H,1-2H3.
What are the key properties of 2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole?
2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole has a molecular weight of 1274.61 g/mol, XLogP of 23.13, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole is sourced from PubChem (CID 118474430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).