2-[5-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole

C53H48N4S2 — CID 135250034

IUPAC2-[5-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole
SMILESCC1(C)N=C(c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5ccc(C6=NC(C)(C)C(C)(C)S6)nc5)c5ccccc5c3-4)cn2)SC1(C)C
InChIInChI=1S/C53H48N4S2/c1-49(2)51(5,6)58-47(56-49)44-27-24-34(31-54-44)33-23-26-40-42(29-33)53(36-17-11-9-12-18-36,37-19-13-10-14-20-37)43-30-41(38-21-15-16-22-39(38)46(40)43)35-25-28-45(55-32-35)48-57-50(3,4)52(7,8)59-48/h9-32H,1-8H3
InChIKeyBLBWXJDARMNRQZ-UHFFFAOYSA-N
MW805.13 g/mol
LogP13.43
Rot. Bonds6

About 2-[5-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole

2-[5-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole (PubChem CID 135250034) has the molecular formula C53H48N4S2 and a molecular weight of 805.13 g/mol. Its IUPAC name is 2-[5-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole.

Molecular Properties

Compound Name2-[5-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole
PubChem CID135250034
Molecular FormulaC53H48N4S2
Molecular Weight805.13 g/mol
Exact Mass804.33
IUPAC Name2-[5-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole
SMILESCC1(C)N=C(c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5ccc(C6=NC(C)(C)C(C)(C)S6)nc5)c5ccccc5c3-4)cn2)SC1(C)C
InChIInChI=1S/C53H48N4S2/c1-49(2)51(5,6)58-47(56-49)44-27-24-34(31-54-44)33-23-26-40-42(29-33)53(36-17-11-9-12-18-36,37-19-13-10-14-20-37)43-30-41(38-21-15-16-22-39(38)46(40)43)35-25-28-45(55-32-35)48-57-50(3,4)52(7,8)59-48/h9-32H,1-8H3
InChIKeyBLBWXJDARMNRQZ-UHFFFAOYSA-N
XLogP13.43
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.13
LogP ≤ 513.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole with MolForge

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Related Compounds

2-[6-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole
CID 135250011
2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]pyridine
CID 135250038
4,4-dimethyl-2-[4-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-5H-1,3-thiazole
CID 135249763
2-[5-(5,7,7-triphenylbenzo[g]fluoren-9-yl)-2-pyridinyl]pyridine-4-carbonitrile
CID 118397955
7,7-diphenyl-5,9-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[c]fluorene
CID 59755297
7,7-diphenyl-5,9-bis[3-(3-phenylphenyl)phenyl]benzo[c]fluorene
CID 59755365
2-[5-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-4-carbonitrile
CID 118398145
4,4,5,5-tetramethyl-2-[3-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-1,3-oxazole
CID 135249758
2-[5-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135250029
4-[5-(2-cyano-4-pyridinyl)-7,7-diphenylbenzo[g]fluoren-9-yl]pyridine-2-carbonitrile
CID 118398019
5,9-dinaphthalen-2-yl-7,7-diphenylbenzo[c]fluorene;ethene;propane
CID 144772565
9-phenanthren-9-yl-5,7,7-triphenylbenzo[c]fluorene
CID 59755306

Frequently Asked Questions

What is the IUPAC name of 2-[5-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole?
The IUPAC name of 2-[5-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole (CID 135250034) is 2-[5-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole.
What is the SMILES notation for 2-[5-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole?
The canonical SMILES for 2-[5-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole is CC1(C)N=C(c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5ccc(C6=NC(C)(C)C(C)(C)S6)nc5)c5ccccc5c3-4)cn2)SC1(C)C.
What is the InChIKey of 2-[5-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole?
The InChIKey is BLBWXJDARMNRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H48N4S2/c1-49(2)51(5,6)58-47(56-49)44-27-24-34(31-54-44)33-23-26-40-42(29-33)53(36-17-11-9-12-18-36,37-19-13-10-14-20-37)43-30-41(38-21-15-16-22-39(38)46(40)43)35-25-28-45(55-32-35)48-57-50(3,4)52(7,8)59-48/h9-32H,1-8H3.
What are the key properties of 2-[5-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole?
2-[5-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole has a molecular weight of 805.13 g/mol, XLogP of 13.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole is sourced from PubChem (CID 135250034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).