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

C84H56N8OS2 — CID 118446294

IUPAC2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(4-phenyl-3H-pyrrol-2-yl)-6-(5-phenyl-1,3-thiazol-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(-c5ncc(-c6ccccc6)s5)cc(C5=NC=C(c6ccccc6)C5)cc4c3c2)c1
InChIInChI=1S/C84H56N8OS2/c1-90-75(53-22-10-4-11-23-53)48-86-81(90)61-32-18-30-57(38-61)59-34-36-73-66(40-59)67-41-60(58-31-19-33-62(39-58)82-87-49-76(91(82)2)54-24-12-5-13-25-54)35-37-74(67)92(73)65-45-69-68-42-63(72-44-64(47-85-72)52-20-8-3-9-21-52)43-70(83-88-50-77(94-83)55-26-14-6-15-27-55)79(68)93-80(69)71(46-65)84-89-51-78(95-84)56-28-16-7-17-29-56/h3-43,45-51H,44H2,1-2H3
InChIKeyRGUQDNGHDFPXOO-UHFFFAOYSA-N
MW1257.56 g/mol
LogP21.97
Rot. Bonds13

About 2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(4-phenyl-3H-pyrrol-2-yl)-6-(5-phenyl-1,3-thiazol-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-(4-phenyl-3H-pyrrol-2-yl)-6-(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole (PubChem CID 118446294) has the molecular formula C84H56N8OS2 and a molecular weight of 1257.56 g/mol. Its IUPAC name is 2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(4-phenyl-3H-pyrrol-2-yl)-6-(5-phenyl-1,3-thiazol-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-(4-phenyl-3H-pyrrol-2-yl)-6-(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole
PubChem CID118446294
Molecular FormulaC84H56N8OS2
Molecular Weight1257.56 g/mol
Exact Mass1256.40
IUPAC Name2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(4-phenyl-3H-pyrrol-2-yl)-6-(5-phenyl-1,3-thiazol-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(-c5ncc(-c6ccccc6)s5)cc(C5=NC=C(c6ccccc6)C5)cc4c3c2)c1
InChIInChI=1S/C84H56N8OS2/c1-90-75(53-22-10-4-11-23-53)48-86-81(90)61-32-18-30-57(38-61)59-34-36-73-66(40-59)67-41-60(58-31-19-33-62(39-58)82-87-49-76(91(82)2)54-24-12-5-13-25-54)35-37-74(67)92(73)65-45-69-68-42-63(72-44-64(47-85-72)52-20-8-3-9-21-52)43-70(83-88-50-77(94-83)55-26-14-6-15-27-55)79(68)93-80(69)71(46-65)84-89-51-78(95-84)56-28-16-7-17-29-56/h3-43,45-51H,44H2,1-2H3
InChIKeyRGUQDNGHDFPXOO-UHFFFAOYSA-N
XLogP21.97
TPSA91.85 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001257.56
LogP ≤ 521.97
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-(4-phenyl-3H-pyrrol-2-yl)-6-(5-phenyl-1,3-thiazol-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-(4-phenyl-3H-pyrrol-2-yl)-6-(5-phenyl-1,3-thiazol-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-(4-phenyl-3H-pyrrol-2-yl)-6-(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole (CID 118446294) is 2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(4-phenyl-3H-pyrrol-2-yl)-6-(5-phenyl-1,3-thiazol-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-(4-phenyl-3H-pyrrol-2-yl)-6-(5-phenyl-1,3-thiazol-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-(4-phenyl-3H-pyrrol-2-yl)-6-(5-phenyl-1,3-thiazol-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(-c5ncc(-c6ccccc6)s5)cc(C5=NC=C(c6ccccc6)C5)cc4c3c2)c1.
What is the InChIKey of 2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(4-phenyl-3H-pyrrol-2-yl)-6-(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole?
The InChIKey is RGUQDNGHDFPXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H56N8OS2/c1-90-75(53-22-10-4-11-23-53)48-86-81(90)61-32-18-30-57(38-61)59-34-36-73-66(40-59)67-41-60(58-31-19-33-62(39-58)82-87-49-76(91(82)2)54-24-12-5-13-25-54)35-37-74(67)92(73)65-45-69-68-42-63(72-44-64(47-85-72)52-20-8-3-9-21-52)43-70(83-88-50-77(94-83)55-26-14-6-15-27-55)79(68)93-80(69)71(46-65)84-89-51-78(95-84)56-28-16-7-17-29-56/h3-43,45-51H,44H2,1-2H3.
What are the key properties of 2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(4-phenyl-3H-pyrrol-2-yl)-6-(5-phenyl-1,3-thiazol-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-(4-phenyl-3H-pyrrol-2-yl)-6-(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole has a molecular weight of 1257.56 g/mol, XLogP of 21.97, 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-(4-phenyl-3H-pyrrol-2-yl)-6-(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole is sourced from PubChem (CID 118446294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).