2-[3-[3-[3-[3-[3-[3-[1-(1-phenylbenzimidazol-2-yl)pyrazol-3-yl]pyrazol-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-5-pyrazol-1-yl-1,3-thiazole

C74H47N9S — CID 154469376

IUPAC2-[3-[3-[3-[3-[3-[3-[1-(1-phenylbenzimidazol-2-yl)pyrazol-3-yl]pyrazol-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-5-pyrazol-1-yl-1,3-thiazole
SMILESc1ccc(-n2c(-n3ccc(-c4ccn(-c5cccc(-c6cccc(-c7cccc(-c8ccc9c(c8)-c8ccccc8C98c9ccccc9-c9ccc(-c%10cccc(-c%11ncc(-n%12cccn%12)s%11)c%10)cc98)c7)c6)c5)n4)n3)nc3ccccc32)cc1
InChIInChI=1S/C74H47N9S/c1-2-22-57(23-3-1)83-70-30-9-8-29-69(70)77-73(83)82-40-36-68(79-82)67-35-39-80(78-67)58-24-13-20-53(44-58)50-17-10-15-48(41-50)49-16-11-18-51(42-49)54-32-34-65-62(45-54)60-26-5-7-28-64(60)74(65)63-27-6-4-25-59(63)61-33-31-55(46-66(61)74)52-19-12-21-56(43-52)72-75-47-71(84-72)81-38-14-37-76-81/h1-47H
InChIKeyHDNWRAJKVNXERG-UHFFFAOYSA-N
MW1094.32 g/mol
LogP17.38
Rot. Bonds10

About 2-[3-[3-[3-[3-[3-[3-[1-(1-phenylbenzimidazol-2-yl)pyrazol-3-yl]pyrazol-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-5-pyrazol-1-yl-1,3-thiazole

2-[3-[3-[3-[3-[3-[3-[1-(1-phenylbenzimidazol-2-yl)pyrazol-3-yl]pyrazol-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-5-pyrazol-1-yl-1,3-thiazole (PubChem CID 154469376) has the molecular formula C74H47N9S and a molecular weight of 1094.32 g/mol. Its IUPAC name is 2-[3-[3-[3-[3-[3-[3-[1-(1-phenylbenzimidazol-2-yl)pyrazol-3-yl]pyrazol-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-5-pyrazol-1-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[3-[3-[3-[3-[3-[3-[1-(1-phenylbenzimidazol-2-yl)pyrazol-3-yl]pyrazol-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-5-pyrazol-1-yl-1,3-thiazole
PubChem CID154469376
Molecular FormulaC74H47N9S
Molecular Weight1094.32 g/mol
Exact Mass1093.37
IUPAC Name2-[3-[3-[3-[3-[3-[3-[1-(1-phenylbenzimidazol-2-yl)pyrazol-3-yl]pyrazol-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-5-pyrazol-1-yl-1,3-thiazole
SMILESc1ccc(-n2c(-n3ccc(-c4ccn(-c5cccc(-c6cccc(-c7cccc(-c8ccc9c(c8)-c8ccccc8C98c9ccccc9-c9ccc(-c%10cccc(-c%11ncc(-n%12cccn%12)s%11)c%10)cc98)c7)c6)c5)n4)n3)nc3ccccc32)cc1
InChIInChI=1S/C74H47N9S/c1-2-22-57(23-3-1)83-70-30-9-8-29-69(70)77-73(83)82-40-36-68(79-82)67-35-39-80(78-67)58-24-13-20-53(44-58)50-17-10-15-48(41-50)49-16-11-18-51(42-49)54-32-34-65-62(45-54)60-26-5-7-28-64(60)74(65)63-27-6-4-25-59(63)61-33-31-55(46-66(61)74)52-19-12-21-56(43-52)72-75-47-71(84-72)81-38-14-37-76-81/h1-47H
InChIKeyHDNWRAJKVNXERG-UHFFFAOYSA-N
XLogP17.38
TPSA84.17 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001094.32
LogP ≤ 517.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[3-[3-[3-[3-[3-[3-[1-(1-phenylbenzimidazol-2-yl)pyrazol-3-yl]pyrazol-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-5-pyrazol-1-yl-1,3-thiazole with MolForge

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Related Compounds

2-[3-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)-9H-fluoren-1-yl]-5-phenyl-1,3-thiazole
CID 90305844
2-(4-tert-butylphenyl)-5-[4-[12-[4-[9-[4-[5-[4-[5-(4-tert-butylphenyl)-1,3-thiazol-2-yl]phenyl]-4,11-dideuterioindolo[3,2-c]carbazol-12-yl]phenyl]fluoren-9-yl]phenyl]-4,11-dideuterioindolo[3,2-c]carbazol-5-yl]phenyl]-1,3,4-thiadiazole;7,22-dideuterio-24-[2'-(7,22-dideuterio-9-naphthalen-2-yl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)-9,9'-spirobi[fluorene]-3-yl]-9-naphthalen-2-yl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;4-(2,4,6,9,11-pentadeuterio-5-pyrazin-2-ylindolo[3,2-c]carbazol-12-yl)-N,N-bis[4-(2,4,6,9,11-pentadeuterio-5-pyrazin-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]aniline
CID 157142755
5-Tert-butylisoquinoline;3-tert-butyl-1-methylindole;1-(2-tert-butylphenyl)pyrazole;1-(4-tert-butylphenyl)pyrazole;2-tert-butyl-5-phenylthiophene;1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole;5-tert-butylquinoline;1-(2,2-dimethylpropyl)-4-phenylbenzene
CID 157165036
1,4-Diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)imidazole;1,3-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,5-diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)pyrazole;1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)triazole
CID 157172613
6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-2-phenyl-1,3-benzothiazole;1-(3-tert-butylphenyl)indazole;2-(3-tert-butylphenyl)indazole;6-tert-butyl-3-phenyl-1H-indazole;bis(7-tert-butyl-3-phenyl-2H-indazole);2-(3-tert-butylphenyl)-3H-indole;3-(3-tert-butylphenyl)-1H-isoindole
CID 157229673
3-(4-dibenzothiophen-4-ylphenyl)-4,5-diphenyl-1,2,4-triazole;4,7-diphenyl-1,10-phenanthroline;N,4-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;9-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole;iridium;2-phenylpyridine
CID 157257575
Tris(platinum(2+));2,15,28,41-tetra(imidazol-1-yl)-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene;2,15,28,41-tetra(pyrazol-1-yl)-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene;4-[15,28,41-tris(1,3-thiazol-4-yl)-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaen-2-yl]-1,3-thiazole
CID 157396893
6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-2-phenyl-1,3-benzothiazole;1-(3-tert-butylphenyl)indazole;2-(3-tert-butylphenyl)indazole;6-tert-butyl-3-phenyl-1H-indazole;7-tert-butyl-3-phenyl-2H-indazole;2-(3-tert-butylphenyl)-3H-indole;3-(3-tert-butylphenyl)-1H-isoindole
CID 157397181
6-tert-butyl-1-propan-2-ylindazole;6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)-2,3-dihydroindole;1,6-di(propan-2-yl)-2,3-dihydroindole;1,4-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indazole;1,4-di(propan-2-yl)indole;1,5-di(propan-2-yl)indole;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole
CID 157420302
9-tert-butyl-2-[4-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-5-id-1-yl]carbazole;bis(3,5-dimethyl-1-phenylpyrazole);bis(iridium);bis(iridium(3+));1-methyl-2-phenylimidazole;1-methyl-3-[4-(9,9'-spirobi[fluorene]-2-yl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;bis(1-(4-phenylbenzene-6-id-1-yl)pyrazole);1-phenylpyrazole
CID 157432210
5,6-Bis(4-carbazol-9-ylphenyl)imidazo[2,1-b][1,3]thiazole;6-(4-carbazol-9-ylphenyl)-5-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]thiazole;5-(4-carbazol-9-ylphenyl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole;5-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole
CID 157602097
1-[3-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide;2-[3-(4-phenylphenyl)benzene-6-id-1-yl]-1,3-thiazole;3-phenyl-5-(5-phenylbenzo[b][1]benzoborol-3-yl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);5-phenyl-3-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyrazol-1-ide;platinum;platinum(4+)
CID 157614375

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3-[3-[3-[3-[1-(1-phenylbenzimidazol-2-yl)pyrazol-3-yl]pyrazol-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-5-pyrazol-1-yl-1,3-thiazole?
The IUPAC name of 2-[3-[3-[3-[3-[3-[3-[1-(1-phenylbenzimidazol-2-yl)pyrazol-3-yl]pyrazol-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-5-pyrazol-1-yl-1,3-thiazole (CID 154469376) is 2-[3-[3-[3-[3-[3-[3-[1-(1-phenylbenzimidazol-2-yl)pyrazol-3-yl]pyrazol-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-5-pyrazol-1-yl-1,3-thiazole.
What is the SMILES notation for 2-[3-[3-[3-[3-[3-[3-[1-(1-phenylbenzimidazol-2-yl)pyrazol-3-yl]pyrazol-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-5-pyrazol-1-yl-1,3-thiazole?
The canonical SMILES for 2-[3-[3-[3-[3-[3-[3-[1-(1-phenylbenzimidazol-2-yl)pyrazol-3-yl]pyrazol-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-5-pyrazol-1-yl-1,3-thiazole is c1ccc(-n2c(-n3ccc(-c4ccn(-c5cccc(-c6cccc(-c7cccc(-c8ccc9c(c8)-c8ccccc8C98c9ccccc9-c9ccc(-c%10cccc(-c%11ncc(-n%12cccn%12)s%11)c%10)cc98)c7)c6)c5)n4)n3)nc3ccccc32)cc1.
What is the InChIKey of 2-[3-[3-[3-[3-[3-[3-[1-(1-phenylbenzimidazol-2-yl)pyrazol-3-yl]pyrazol-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-5-pyrazol-1-yl-1,3-thiazole?
The InChIKey is HDNWRAJKVNXERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H47N9S/c1-2-22-57(23-3-1)83-70-30-9-8-29-69(70)77-73(83)82-40-36-68(79-82)67-35-39-80(78-67)58-24-13-20-53(44-58)50-17-10-15-48(41-50)49-16-11-18-51(42-49)54-32-34-65-62(45-54)60-26-5-7-28-64(60)74(65)63-27-6-4-25-59(63)61-33-31-55(46-66(61)74)52-19-12-21-56(43-52)72-75-47-71(84-72)81-38-14-37-76-81/h1-47H.
What are the key properties of 2-[3-[3-[3-[3-[3-[3-[1-(1-phenylbenzimidazol-2-yl)pyrazol-3-yl]pyrazol-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-5-pyrazol-1-yl-1,3-thiazole?
2-[3-[3-[3-[3-[3-[3-[1-(1-phenylbenzimidazol-2-yl)pyrazol-3-yl]pyrazol-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-5-pyrazol-1-yl-1,3-thiazole has a molecular weight of 1094.32 g/mol, XLogP of 17.38, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[3-[3-[3-[3-[1-(1-phenylbenzimidazol-2-yl)pyrazol-3-yl]pyrazol-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-5-pyrazol-1-yl-1,3-thiazole is sourced from PubChem (CID 154469376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).