2-[[2-[2-[2-[2-[3-(furan-2-yl)-5-naphthalen-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenyl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline

C80H51N5O2S2 — CID 123289308

IUPAC2-[[2-[2-[2-[2-[3-(furan-2-yl)-5-naphthalen-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenyl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline
SMILESc1ccc(C(Sc2ccccc2-c2c(-c3c(-c4cccnc4-c4cc(-c5cccc6ccccc56)c(-c5ccc[nH]5)c(-c5ccco5)c4-c4cccs4)[nH]c4ccccc34)oc3ccccc23)c2nc3ccccc3cc2-c2nccc3ccccc23)cc1
InChIInChI=1S/C80H51N5O2S2/c1-2-23-51(24-3-1)80(78-62(47-52-25-6-12-34-63(52)84-78)75-54-28-8-5-22-50(54)41-44-83-75)89-68-39-15-11-31-58(68)70-57-30-10-14-37-66(57)87-79(70)73-56-29-9-13-35-64(56)85-77(73)59-33-17-43-82-76(59)61-48-60(55-32-16-26-49-21-4-7-27-53(49)55)71(65-36-18-42-81-65)74(67-38-19-45-86-67)72(61)69-40-20-46-88-69/h1-48,80-81,85H
InChIKeyLDOJZMDBRGJDLE-UHFFFAOYSA-N
MW1178.46 g/mol
LogP22.43
Rot. Bonds13

About 2-[[2-[2-[2-[2-[3-(furan-2-yl)-5-naphthalen-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenyl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline

2-[[2-[2-[2-[2-[3-(furan-2-yl)-5-naphthalen-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenyl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline (PubChem CID 123289308) has the molecular formula C80H51N5O2S2 and a molecular weight of 1178.46 g/mol. Its IUPAC name is 2-[[2-[2-[2-[2-[3-(furan-2-yl)-5-naphthalen-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenyl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline.

Molecular Properties

Compound Name2-[[2-[2-[2-[2-[3-(furan-2-yl)-5-naphthalen-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenyl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline
PubChem CID123289308
Molecular FormulaC80H51N5O2S2
Molecular Weight1178.46 g/mol
Exact Mass1177.35
IUPAC Name2-[[2-[2-[2-[2-[3-(furan-2-yl)-5-naphthalen-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenyl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline
SMILESc1ccc(C(Sc2ccccc2-c2c(-c3c(-c4cccnc4-c4cc(-c5cccc6ccccc56)c(-c5ccc[nH]5)c(-c5ccco5)c4-c4cccs4)[nH]c4ccccc34)oc3ccccc23)c2nc3ccccc3cc2-c2nccc3ccccc23)cc1
InChIInChI=1S/C80H51N5O2S2/c1-2-23-51(24-3-1)80(78-62(47-52-25-6-12-34-63(52)84-78)75-54-28-8-5-22-50(54)41-44-83-75)89-68-39-15-11-31-58(68)70-57-30-10-14-37-66(57)87-79(70)73-56-29-9-13-35-64(56)85-77(73)59-33-17-43-82-76(59)61-48-60(55-32-16-26-49-21-4-7-27-53(49)55)71(65-36-18-42-81-65)74(67-38-19-45-86-67)72(61)69-40-20-46-88-69/h1-48,80-81,85H
InChIKeyLDOJZMDBRGJDLE-UHFFFAOYSA-N
XLogP22.43
TPSA96.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001178.46
LogP ≤ 522.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[2-[2-[2-[2-[3-(furan-2-yl)-5-naphthalen-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenyl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1H-inden-2-yl)-2-[6-(3-phenylphenyl)-2-pyridinyl]-[1]benzothiolo[3,2-c]carbazole;5-phenyl-2-(4-phenyl-2-pyridinyl)-9-(trifluoromethyl)-[1]benzothiolo[3,2-c]carbazole;5-phenyl-2-pyridin-2-yl-10-pyrrol-1-yl-[1]benzofuro[3,2-c]carbazole
CID 157966969
CID 160035174
CID 160035174
tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene
CID 165007738
2-[3-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-7-(1H-inden-1-yl)-4-(1H-indol-2-yl)quinolin-6-yl]-1,3-oxazole
CID 53651180
2-[8-(Furan-2-yl)-3-pyridin-2-yl-2-thiophen-2-ylnaphthalen-1-yl]quinoline
CID 54326698
1-benzofuran;1,3-benzothiazole;1-benzothiophene;1H-indole;2H-isoindole
CID 69494068
2-[3-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-ylphenyl]-1H-indole
CID 90755845
7-(1-benzofuran-2-yl)-6-(1-benzothiophen-2-yl)-1-(1H-indol-2-yl)-2H-isoindole
CID 90928440
2-[4-phenyl-5-[phenyl-[2-[[3-(3-pyridin-2-ylfuran-2-yl)-1-benzofuran-2-yl]sulfanyl]phenyl]methyl]sulfanyl-1H-pyrrol-3-yl]quinoline
CID 91327227
2-[[2-[2-[2-[2-[4-(furan-2-yl)-3-thiophen-2-yl-1H-pyrrol-2-yl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline
CID 91399156
9-Methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]furan-2-yl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]thiophen-2-yl]carbazole
CID 123334351
2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine;2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
CID 123724688

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[2-[2-[3-(furan-2-yl)-5-naphthalen-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenyl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline?
The IUPAC name of 2-[[2-[2-[2-[2-[3-(furan-2-yl)-5-naphthalen-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenyl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline (CID 123289308) is 2-[[2-[2-[2-[2-[3-(furan-2-yl)-5-naphthalen-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenyl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline.
What is the SMILES notation for 2-[[2-[2-[2-[2-[3-(furan-2-yl)-5-naphthalen-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenyl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline?
The canonical SMILES for 2-[[2-[2-[2-[2-[3-(furan-2-yl)-5-naphthalen-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenyl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline is c1ccc(C(Sc2ccccc2-c2c(-c3c(-c4cccnc4-c4cc(-c5cccc6ccccc56)c(-c5ccc[nH]5)c(-c5ccco5)c4-c4cccs4)[nH]c4ccccc34)oc3ccccc23)c2nc3ccccc3cc2-c2nccc3ccccc23)cc1.
What is the InChIKey of 2-[[2-[2-[2-[2-[3-(furan-2-yl)-5-naphthalen-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenyl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline?
The InChIKey is LDOJZMDBRGJDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H51N5O2S2/c1-2-23-51(24-3-1)80(78-62(47-52-25-6-12-34-63(52)84-78)75-54-28-8-5-22-50(54)41-44-83-75)89-68-39-15-11-31-58(68)70-57-30-10-14-37-66(57)87-79(70)73-56-29-9-13-35-64(56)85-77(73)59-33-17-43-82-76(59)61-48-60(55-32-16-26-49-21-4-7-27-53(49)55)71(65-36-18-42-81-65)74(67-38-19-45-86-67)72(61)69-40-20-46-88-69/h1-48,80-81,85H.
What are the key properties of 2-[[2-[2-[2-[2-[3-(furan-2-yl)-5-naphthalen-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenyl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline?
2-[[2-[2-[2-[2-[3-(furan-2-yl)-5-naphthalen-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenyl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline has a molecular weight of 1178.46 g/mol, XLogP of 22.43, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-[2-[2-[3-(furan-2-yl)-5-naphthalen-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenyl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline is sourced from PubChem (CID 123289308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).