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

C84H56N8OS2 — CID 123589093

IUPAC2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(4-phenyl-1H-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(-c5cc(-c6ccccc6)c[nH]5)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/h3-51,85H,1-2H3
InChIKeyUWQISLKEIBWKDH-UHFFFAOYSA-N
MW1257.56 g/mol
LogP22.40
Rot. Bonds13

About 2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(4-phenyl-1H-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-1H-pyrrol-2-yl)-6-(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole (PubChem CID 123589093) 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-1H-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-1H-pyrrol-2-yl)-6-(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole
PubChem CID123589093
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-1H-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(-c5cc(-c6ccccc6)c[nH]5)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/h3-51,85H,1-2H3
InChIKeyUWQISLKEIBWKDH-UHFFFAOYSA-N
XLogP22.40
TPSA95.28 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001257.56
LogP ≤ 522.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(4-phenyl-1H-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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Related Compounds

2-[3-[8-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1H-pyrrol-2-yl)phenyl]-2-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole
CID 123430913
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646
9-phenyl-3-[3-(6-phenyldibenzofuran-4-yl)-5-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-[3-(6-phenyldibenzofuran-4-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 159217991
9-[8-[4,6-di(propan-2-yl)-8-[3-(3-pyrazin-2-ylphenyl)-6-pyridin-2-ylcarbazol-9-yl]dibenzothiophen-2-yl]-4,6-di(propan-2-yl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole
CID 118055425
2-phenyl-5-(2,8,11-triphenylindolo[3,2-b]carbazol-5-yl)-1,3-thiazole
CID 118300821
9-[3-(1-phenylbenzimidazol-2-yl)phenyl]-3-(2,6,8-triphenyldibenzofuran-4-yl)carbazole
CID 67818598
9-[3-(3,5-diphenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166509860
3,9-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 118438947
4-(6,9-diphenylcarbazol-3-yl)-2-phenylaniline
CID 90069493
9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole
CID 126503570
9-[3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-2-yl]phenyl]-3-[3-(3-methylphenyl)phenyl]carbazole
CID 168837481
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670

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-1H-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-1H-pyrrol-2-yl)-6-(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole (CID 123589093) is 2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(4-phenyl-1H-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-1H-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-1H-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(-c5cc(-c6ccccc6)c[nH]5)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-1H-pyrrol-2-yl)-6-(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole?
The InChIKey is UWQISLKEIBWKDH-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/h3-51,85H,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-1H-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-1H-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 22.40, 13 rotatable bonds, 1 hydrogen bond donors, and 10 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-1H-pyrrol-2-yl)-6-(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole is sourced from PubChem (CID 123589093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).