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

C83H56N8OS3 — CID 153095265

IUPAC2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-4,5-dihydro-1,3-thiazol-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=NCC(c6ccccc6)S5)cc4c3c2)c1
InChIInChI=1S/C83H56N8OS3/c1-89-72(51-20-8-3-9-21-51)46-84-79(89)60-32-18-30-56(38-60)58-34-36-70-64(40-58)65-41-59(57-31-19-33-61(39-57)80-85-47-73(90(80)2)52-22-10-4-11-23-52)35-37-71(65)91(70)63-44-67-66-42-62(81-86-48-74(93-81)53-24-12-5-13-25-53)43-68(82-87-49-75(94-82)54-26-14-6-15-27-54)77(66)92-78(67)69(45-63)83-88-50-76(95-83)55-28-16-7-17-29-55/h3-47,49-50,74H,48H2,1-2H3
InChIKeyVPYWWXCEKKPMOM-UHFFFAOYSA-N
MW1277.62 g/mol
LogP21.97
Rot. Bonds13

About 2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-4,5-dihydro-1,3-thiazol-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-(5-phenyl-4,5-dihydro-1,3-thiazol-2-yl)-6-(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole (PubChem CID 153095265) has the molecular formula C83H56N8OS3 and a molecular weight of 1277.62 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-4,5-dihydro-1,3-thiazol-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-(5-phenyl-4,5-dihydro-1,3-thiazol-2-yl)-6-(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole
PubChem CID153095265
Molecular FormulaC83H56N8OS3
Molecular Weight1277.62 g/mol
Exact Mass1276.37
IUPAC Name2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-4,5-dihydro-1,3-thiazol-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=NCC(c6ccccc6)S5)cc4c3c2)c1
InChIInChI=1S/C83H56N8OS3/c1-89-72(51-20-8-3-9-21-51)46-84-79(89)60-32-18-30-56(38-60)58-34-36-70-64(40-58)65-41-59(57-31-19-33-61(39-57)80-85-47-73(90(80)2)52-22-10-4-11-23-52)35-37-71(65)91(70)63-44-67-66-42-62(81-86-48-74(93-81)53-24-12-5-13-25-53)43-68(82-87-49-75(94-82)54-26-14-6-15-27-54)77(66)92-78(67)69(45-63)83-88-50-76(95-83)55-28-16-7-17-29-55/h3-47,49-50,74H,48H2,1-2H3
InChIKeyVPYWWXCEKKPMOM-UHFFFAOYSA-N
XLogP21.97
TPSA91.85 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001277.62
LogP ≤ 521.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

3-(3-Carbazol-9-ylphenyl)-9-dibenzothiophen-2-ylcarbazole;9-cyclohexyl-3-[3-(1-phenylimidazol-2-yl)phenyl]carbazole;2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenylcarbazole;2-[8-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[3-[2-(9-phenylcarbazol-3-yl)propan-2-yl]phenyl]dibenzothiophen-2-yl]-4,5-dimethyl-1,3-thiazole;3-isocyano-9-[3-[9-[7-(trifluoromethyl)dibenzofuran-3-yl]carbazol-3-yl]phenyl]carbazole
CID 159159563
6-Dibenzothiophen-2-yl-3-isocyano-1,9-diphenylcarbazole;3,9-di(dibenzofuran-2-yl)-6-isocyanocarbazole;3-isocyano-6-(1-phenylbenzimidazol-4-yl)-9-[5-[6-(trifluoromethyl)dibenzothiophen-2-yl]-3-pyridinyl]carbazole
CID 160492128
[2-[1-[2,4-Di(propan-2-yl)dibenzofuran-1-yl]imidazol-2-yl]phenyl]-[2-[2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]propan-2-yl]-fluoro-methyl-lambda4-sulfane
CID 145179068
9-[8-[3,6-Bis[2-(1-phenylimidazol-2-yl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]-3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazole
CID 57958260
9-[8-[4,6-Di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-4,6-di(propan-2-yl)dibenzothiophen-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole
CID 57958351
2-[2-[3,6-Bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole
CID 57958355
9-[8-[2-[3-[1-(8-Carbazol-9-yldibenzofuran-2-yl)imidazol-2-yl]phenyl]imidazol-1-yl]dibenzofuran-2-yl]carbazole
CID 58037506
9-[3-[1-(8-Carbazol-9-yldibenzofuran-2-yl)imidazol-2-yl]phenyl]carbazole
CID 58037513
9-[8-[3-(8-Carbazol-9-yldibenzofuran-2-yl)-5-[4-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]phenyl]dibenzofuran-2-yl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole)
CID 58099636
3-(8-Carbazol-9-yldibenzofuran-2-yl)-9-[3-[3,5,7,9,11,13-hexakis[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-1-[2,4,6-tris[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-8-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]nonyl]pentadecyl]phenyl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole)
CID 58099794
8-[6-[8-[8-[6-[8-[8-[6-[8-[8-[6-[8-(8-Pyridin-2-ylpyrido[3,2-b]indol-5-yl)-2-pyrimidin-2-yldibenzofuran-4-yl]-2-pyridinyl]pyrido[3,2-b]indol-5-yl]-2-pyrimidin-2-yldibenzofuran-4-yl]-2-pyridinyl]pyrido[3,2-b]indol-5-yl]-2-pyrimidin-2-yldibenzofuran-4-yl]-2-pyridinyl]pyrido[3,2-b]indol-5-yl]-2-pyrimidin-2-yldibenzofuran-4-yl]-2-pyridinyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58099830
9-[8-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]dibenzofuran-2-yl]carbazole
CID 58113484

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-4,5-dihydro-1,3-thiazol-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-(5-phenyl-4,5-dihydro-1,3-thiazol-2-yl)-6-(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole (CID 153095265) is 2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-4,5-dihydro-1,3-thiazol-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-(5-phenyl-4,5-dihydro-1,3-thiazol-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-(5-phenyl-4,5-dihydro-1,3-thiazol-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=NCC(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-4,5-dihydro-1,3-thiazol-2-yl)-6-(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole?
The InChIKey is VPYWWXCEKKPMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H56N8OS3/c1-89-72(51-20-8-3-9-21-51)46-84-79(89)60-32-18-30-56(38-60)58-34-36-70-64(40-58)65-41-59(57-31-19-33-61(39-57)80-85-47-73(90(80)2)52-22-10-4-11-23-52)35-37-71(65)91(70)63-44-67-66-42-62(81-86-48-74(93-81)53-24-12-5-13-25-53)43-68(82-87-49-75(94-82)54-26-14-6-15-27-54)77(66)92-78(67)69(45-63)83-88-50-76(95-83)55-28-16-7-17-29-55/h3-47,49-50,74H,48H2,1-2H3.
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-4,5-dihydro-1,3-thiazol-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-(5-phenyl-4,5-dihydro-1,3-thiazol-2-yl)-6-(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole has a molecular weight of 1277.62 g/mol, XLogP of 21.97, 13 rotatable bonds, 0 hydrogen bond donors, and 12 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-4,5-dihydro-1,3-thiazol-2-yl)-6-(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole is sourced from PubChem (CID 153095265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).