2-[3-[12,12-diphenyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole

C51H32N2S2 — CID 121297681

IUPAC2-[3-[12,12-diphenyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole
SMILESc1ccc(C2(c3ccccc3)c3cc(-c4cccc(-c5nccs5)c4)c4ccccc4c3-c3c2cc(-c2cccc(-c4nccs4)c2)c2ccccc32)cc1
InChIInChI=1S/C51H32N2S2/c1-3-17-37(18-4-1)51(38-19-5-2-6-20-38)45-31-43(33-13-11-15-35(29-33)49-52-25-27-54-49)39-21-7-9-23-41(39)47(45)48-42-24-10-8-22-40(42)44(32-46(48)51)34-14-12-16-36(30-34)50-53-26-28-55-50/h1-32H
InChIKeyOORYTGULBCWEBH-UHFFFAOYSA-N
MW736.97 g/mol
LogP13.94
Rot. Bonds6

About 2-[3-[12,12-diphenyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole

2-[3-[12,12-diphenyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole (PubChem CID 121297681) has the molecular formula C51H32N2S2 and a molecular weight of 736.97 g/mol. Its IUPAC name is 2-[3-[12,12-diphenyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-[12,12-diphenyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole
PubChem CID121297681
Molecular FormulaC51H32N2S2
Molecular Weight736.97 g/mol
Exact Mass736.20
IUPAC Name2-[3-[12,12-diphenyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole
SMILESc1ccc(C2(c3ccccc3)c3cc(-c4cccc(-c5nccs5)c4)c4ccccc4c3-c3c2cc(-c2cccc(-c4nccs4)c2)c2ccccc32)cc1
InChIInChI=1S/C51H32N2S2/c1-3-17-37(18-4-1)51(38-19-5-2-6-20-38)45-31-43(33-13-11-15-35(29-33)49-52-25-27-54-49)39-21-7-9-23-41(39)47(45)48-42-24-10-8-22-40(42)44(32-46(48)51)34-14-12-16-36(30-34)50-53-26-28-55-50/h1-32H
InChIKeyOORYTGULBCWEBH-UHFFFAOYSA-N
XLogP13.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.97
LogP ≤ 513.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-[12,12-diphenyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole with MolForge

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Related Compounds

2-[4-[12,12-dimethyl-15-[4-(1,3-oxazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[4-[12,12-dimethyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[12,12-diphenyl-15-[4-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[4-[10-[10-[4-(1,3-oxazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[4-[4-[4-(1,3-oxazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-oxazole;2-[4-[10-[10-[4-(1,3-thiazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1,3-thiazole;2-[4-[4-[4-[4-(1,3-thiazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-thiazole
CID 161310026
7,7-diphenyl-5,9-bis[3-(3-phenylphenyl)phenyl]benzo[c]fluorene
CID 59755365
2-[3-[7-[3-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole
CID 121297684
7,7-diphenyl-5,9-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[c]fluorene
CID 59755297
4-[3-(12,12-diphenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)phenyl]pyridine-2-carbonitrile
CID 118398092
4-[3-(12,12-diphenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)phenyl]-2-isocyanopyridine
CID 140769471
2-(3,10-diphenylanthracen-9-yl)-1,3-thiazole
CID 134471955
22-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]-25,25-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 140725581
2-[3-(7,7-diphenylbenzo[c]fluoren-5-yl)-5-pyridin-4-ylphenyl]-4,6-diphenylpyridine
CID 122431228
4-(12,12-diphenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)pyridine-2-carbonitrile
CID 126502555
2-[6-[7,7-dimethyl-9-[6-(1,3-oxazol-2-yl)-2-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-1,3-oxazole;2-[6-[7,7-dimethyl-9-[6-(1,3-thiazol-2-yl)-2-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-1,3-thiazole;2-[6-[7,7-diphenyl-9-[6-(1,3-thiazol-2-yl)-2-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-1,3-thiazole;2-[6-[9-[6-(1,3-oxazol-2-yl)-2-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-2-pyridinyl]-1,3-oxazole;2-[6-[7'-[6-(1,3-oxazol-2-yl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]-1,3-oxazole;2-[6-[7'-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]-1,3-thiazole
CID 158883058
2-[3-[15'-[3-(1,3-oxazol-2-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-1,3-oxazole
CID 121297691

Frequently Asked Questions

What is the IUPAC name of 2-[3-[12,12-diphenyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole?
The IUPAC name of 2-[3-[12,12-diphenyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole (CID 121297681) is 2-[3-[12,12-diphenyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[3-[12,12-diphenyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole?
The canonical SMILES for 2-[3-[12,12-diphenyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole is c1ccc(C2(c3ccccc3)c3cc(-c4cccc(-c5nccs5)c4)c4ccccc4c3-c3c2cc(-c2cccc(-c4nccs4)c2)c2ccccc32)cc1.
What is the InChIKey of 2-[3-[12,12-diphenyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole?
The InChIKey is OORYTGULBCWEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2S2/c1-3-17-37(18-4-1)51(38-19-5-2-6-20-38)45-31-43(33-13-11-15-35(29-33)49-52-25-27-54-49)39-21-7-9-23-41(39)47(45)48-42-24-10-8-22-40(42)44(32-46(48)51)34-14-12-16-36(30-34)50-53-26-28-55-50/h1-32H.
What are the key properties of 2-[3-[12,12-diphenyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole?
2-[3-[12,12-diphenyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole has a molecular weight of 736.97 g/mol, XLogP of 13.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[12,12-diphenyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole is sourced from PubChem (CID 121297681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).