benzene;cyclopentane;2,3-dihydro-1H-indene;3,4-dihydroquinoline;9H-fluorene;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indene;indolizine;1H-isoindole;isoquinoline;naphthalene;phthalazine;pyrimidine;1H-pyrrole;bis(2H-pyrrole);quinoline;1,2,3,4-tetrahydronaphthalene;thiophene

C156H151N17S2 — CID 157147634

IUPACbenzene;cyclopentane;2,3-dihydro-1H-indene;3,4-dihydroquinoline;9H-fluorene;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indene;indolizine;1H-isoindole;isoquinoline;naphthalene;phthalazine;pyrimidine;1H-pyrrole;bis(2H-pyrrole);quinoline;1,2,3,4-tetrahydronaphthalene;thiophene
SMILESC1=CCN=C1.C1=CCN=C1.C1=Cc2ccccc2C1.C1=NCc2ccccc21.C1=Nc2ccccc2CC1.C1CCCC1.c1cc[nH]c1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2cnncc2c1.c1ccc2ncccc2c1.c1ccccc1.c1ccccc1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccsc1.c1ccsc1.c1cn2ccnc2cn1.c1cncnc1
InChIInChI=1S/C13H10.C10H12.C10H8.C9H9N.2C9H7N.C9H10.C9H8.C8H6N2.2C8H7N.C7H6N2.C6H5N3.2C6H6.C5H10.C4H4N2.3C4H5N.2C4H4S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;2*1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-6-10-9-5-7(8)3-1;1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;1-2-5-9-6-4-8-7(9)3-1;1-3-9-4-2-8-6(9)5-7-1;2*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-5-4-6-3-1;5*1-2-4-5-3-1/h1-8H,9H2;1-2,5-6H,3-4,7-8H2;1-8H;1-2,4,6-7H,3,5H2;2*1-7H;1-2,4-5H,3,6-7H2;1-6H,7H2;1-6H;1-7H;1-5H,6H2;1-6H;1-5H;2*1-6H;1-5H2;1-4H;2*1-3H,4H2;1-5H;2*1-4H
InChIKeyAKWRHVDDDSUAEL-UHFFFAOYSA-N
MW2328.18 g/mol
LogP38.72
Rot. Bonds

About benzene;cyclopentane;2,3-dihydro-1H-indene;3,4-dihydroquinoline;9H-fluorene;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indene;indolizine;1H-isoindole;isoquinoline;naphthalene;phthalazine;pyrimidine;1H-pyrrole;bis(2H-pyrrole);quinoline;1,2,3,4-tetrahydronaphthalene;thiophene

benzene;cyclopentane;2,3-dihydro-1H-indene;3,4-dihydroquinoline;9H-fluorene;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indene;indolizine;1H-isoindole;isoquinoline;naphthalene;phthalazine;pyrimidine;1H-pyrrole;bis(2H-pyrrole);quinoline;1,2,3,4-tetrahydronaphthalene;thiophene (PubChem CID 157147634) has the molecular formula C156H151N17S2 and a molecular weight of 2328.18 g/mol. Its IUPAC name is benzene;cyclopentane;2,3-dihydro-1H-indene;3,4-dihydroquinoline;9H-fluorene;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indene;indolizine;1H-isoindole;isoquinoline;naphthalene;phthalazine;pyrimidine;1H-pyrrole;bis(2H-pyrrole);quinoline;1,2,3,4-tetrahydronaphthalene;thiophene.

Molecular Properties

Compound Namebenzene;cyclopentane;2,3-dihydro-1H-indene;3,4-dihydroquinoline;9H-fluorene;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indene;indolizine;1H-isoindole;isoquinoline;naphthalene;phthalazine;pyrimidine;1H-pyrrole;bis(2H-pyrrole);quinoline;1,2,3,4-tetrahydronaphthalene;thiophene
PubChem CID157147634
Molecular FormulaC156H151N17S2
Molecular Weight2328.18 g/mol
Exact Mass2326.18
IUPAC Namebenzene;cyclopentane;2,3-dihydro-1H-indene;3,4-dihydroquinoline;9H-fluorene;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indene;indolizine;1H-isoindole;isoquinoline;naphthalene;phthalazine;pyrimidine;1H-pyrrole;bis(2H-pyrrole);quinoline;1,2,3,4-tetrahydronaphthalene;thiophene
SMILESC1=CCN=C1.C1=CCN=C1.C1=Cc2ccccc2C1.C1=NCc2ccccc21.C1=Nc2ccccc2CC1.C1CCCC1.c1cc[nH]c1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2cnncc2c1.c1ccc2ncccc2c1.c1ccccc1.c1ccccc1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccsc1.c1ccsc1.c1cn2ccnc2cn1.c1cncnc1
InChIInChI=1S/C13H10.C10H12.C10H8.C9H9N.2C9H7N.C9H10.C9H8.C8H6N2.2C8H7N.C7H6N2.C6H5N3.2C6H6.C5H10.C4H4N2.3C4H5N.2C4H4S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;2*1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-6-10-9-5-7(8)3-1;1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;1-2-5-9-6-4-8-7(9)3-1;1-3-9-4-2-8-6(9)5-7-1;2*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-5-4-6-3-1;5*1-2-4-5-3-1/h1-8H,9H2;1-2,5-6H,3-4,7-8H2;1-8H;1-2,4,6-7H,3,5H2;2*1-7H;1-2,4-5H,3,6-7H2;1-6H,7H2;1-6H;1-7H;1-5H,6H2;1-6H;1-5H;2*1-6H;1-5H2;1-4H;2*1-3H,4H2;1-5H;2*1-4H
InChIKeyAKWRHVDDDSUAEL-UHFFFAOYSA-N
XLogP38.72
TPSA194.47 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002328.18
LogP ≤ 538.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze benzene;cyclopentane;2,3-dihydro-1H-indene;3,4-dihydroquinoline;9H-fluorene;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indene;indolizine;1H-isoindole;isoquinoline;naphthalene;phthalazine;pyrimidine;1H-pyrrole;bis(2H-pyrrole);quinoline;1,2,3,4-tetrahydronaphthalene;thiophene with MolForge

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Related Compounds

2,3-Diphenylindazole;1-fluoro-2-phenylimidazo[1,2-a]quinoline;2-[2-fluoro-4-(trifluoromethyl)phenyl]pyridine;2-naphthalen-2-ylimidazo[1,2-a]pyridine;2-phenyl-1,3-benzothiazole;2-phenylimidazo[1,2-a]pyridine;1-phenylindazole;2-phenylindazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenylpyrazolo[1,5-a]pyridine;2-phenylpyridine;2-phenyl-3-(trifluoromethyl)imidazo[1,2-a]pyridine;2-thiophen-2-ylpyridine
CID 157653295
9-(1H-isoindol-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(1-methylpyrazol-4-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-(1H-pyrazol-4-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-(1H-pyrrolo[2,3-b]pyridin-3-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thiophen-3-yl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
CID 158276681
2,3-Diphenylindazole;1-fluoro-2-phenylimidazo[1,2-a]quinoline;2-[2-fluoro-4-(trifluoromethyl)phenyl]pyridine;2-phenyl-1,3-benzothiazole;2-phenylimidazo[1,2-a]pyridine;1-phenylindazole;2-phenylindazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenylpyrazolo[1,5-a]pyridine;2-phenylpyridine;2-phenyl-3-(trifluoromethyl)imidazo[1,2-a]pyridine;2-thiophen-2-ylpyridine
CID 158435881
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;methane
CID 161234517
N-[3-[1-[2-[[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1-benzothiophen-7-yl]pyrazol-4-yl]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-6-amine
CID 71197085
5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methylpyrazolo[1,5-c]quinazoline;2-methyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline;2-methyl-5-(quinolin-2-ylmethylsulfanyl)pyrazolo[1,5-c]quinazoline
CID 87097933
5-[7-[5-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-methylthiophen-3-yl]-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 137031883
7-[4-[2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137034005
4-[2-[[[2-(aminomethyl)-3-pyridinyl]methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-3H-benzimidazol-5-yl]-N-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-[[6-[8-[[4-(aminomethyl)thiophen-3-yl]methyl-(1H-benzimidazol-2-ylmethyl)amino]-5,6,7,8-tetrahydroquinolin-4-yl]-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 138714017
3-(1H-indazol-3-yl)-6-indolizin-1-yl-4-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-7-thiophen-2-ylisoquinoline
CID 140971019
2-[5-(1H-benzimidazol-2-yl)-6-indazol-1-yl-3-(7H-purin-2-yl)-2-(4H-quinolizin-1-yl)quinolin-4-yl]-1,3-benzothiazole
CID 141036925
2-[6-naphthalen-1-yl-2-phenyl-5-(7H-purin-2-yl)-6-pyrazin-2-yl-4-quinolin-2-yl-3-thiophen-2-yl-1-(2H-triazol-4-yl)cyclohexa-2,4-dien-1-yl]-1,3-benzothiazole
CID 141113817

Frequently Asked Questions

What is the IUPAC name of benzene;cyclopentane;2,3-dihydro-1H-indene;3,4-dihydroquinoline;9H-fluorene;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indene;indolizine;1H-isoindole;isoquinoline;naphthalene;phthalazine;pyrimidine;1H-pyrrole;bis(2H-pyrrole);quinoline;1,2,3,4-tetrahydronaphthalene;thiophene?
The IUPAC name of benzene;cyclopentane;2,3-dihydro-1H-indene;3,4-dihydroquinoline;9H-fluorene;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indene;indolizine;1H-isoindole;isoquinoline;naphthalene;phthalazine;pyrimidine;1H-pyrrole;bis(2H-pyrrole);quinoline;1,2,3,4-tetrahydronaphthalene;thiophene (CID 157147634) is benzene;cyclopentane;2,3-dihydro-1H-indene;3,4-dihydroquinoline;9H-fluorene;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indene;indolizine;1H-isoindole;isoquinoline;naphthalene;phthalazine;pyrimidine;1H-pyrrole;bis(2H-pyrrole);quinoline;1,2,3,4-tetrahydronaphthalene;thiophene.
What is the SMILES notation for benzene;cyclopentane;2,3-dihydro-1H-indene;3,4-dihydroquinoline;9H-fluorene;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indene;indolizine;1H-isoindole;isoquinoline;naphthalene;phthalazine;pyrimidine;1H-pyrrole;bis(2H-pyrrole);quinoline;1,2,3,4-tetrahydronaphthalene;thiophene?
The canonical SMILES for benzene;cyclopentane;2,3-dihydro-1H-indene;3,4-dihydroquinoline;9H-fluorene;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indene;indolizine;1H-isoindole;isoquinoline;naphthalene;phthalazine;pyrimidine;1H-pyrrole;bis(2H-pyrrole);quinoline;1,2,3,4-tetrahydronaphthalene;thiophene is C1=CCN=C1.C1=CCN=C1.C1=Cc2ccccc2C1.C1=NCc2ccccc21.C1=Nc2ccccc2CC1.C1CCCC1.c1cc[nH]c1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2cnncc2c1.c1ccc2ncccc2c1.c1ccccc1.c1ccccc1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccsc1.c1ccsc1.c1cn2ccnc2cn1.c1cncnc1.
What is the InChIKey of benzene;cyclopentane;2,3-dihydro-1H-indene;3,4-dihydroquinoline;9H-fluorene;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indene;indolizine;1H-isoindole;isoquinoline;naphthalene;phthalazine;pyrimidine;1H-pyrrole;bis(2H-pyrrole);quinoline;1,2,3,4-tetrahydronaphthalene;thiophene?
The InChIKey is AKWRHVDDDSUAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C10H12.C10H8.C9H9N.2C9H7N.C9H10.C9H8.C8H6N2.2C8H7N.C7H6N2.C6H5N3.2C6H6.C5H10.C4H4N2.3C4H5N.2C4H4S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;2*1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-6-10-9-5-7(8)3-1;1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;1-2-5-9-6-4-8-7(9)3-1;1-3-9-4-2-8-6(9)5-7-1;2*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-5-4-6-3-1;5*1-2-4-5-3-1/h1-8H,9H2;1-2,5-6H,3-4,7-8H2;1-8H;1-2,4,6-7H,3,5H2;2*1-7H;1-2,4-5H,3,6-7H2;1-6H,7H2;1-6H;1-7H;1-5H,6H2;1-6H;1-5H;2*1-6H;1-5H2;1-4H;2*1-3H,4H2;1-5H;2*1-4H.
What are the key properties of benzene;cyclopentane;2,3-dihydro-1H-indene;3,4-dihydroquinoline;9H-fluorene;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indene;indolizine;1H-isoindole;isoquinoline;naphthalene;phthalazine;pyrimidine;1H-pyrrole;bis(2H-pyrrole);quinoline;1,2,3,4-tetrahydronaphthalene;thiophene?
benzene;cyclopentane;2,3-dihydro-1H-indene;3,4-dihydroquinoline;9H-fluorene;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indene;indolizine;1H-isoindole;isoquinoline;naphthalene;phthalazine;pyrimidine;1H-pyrrole;bis(2H-pyrrole);quinoline;1,2,3,4-tetrahydronaphthalene;thiophene has a molecular weight of 2328.18 g/mol, XLogP of 38.72, 0 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;cyclopentane;2,3-dihydro-1H-indene;3,4-dihydroquinoline;9H-fluorene;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indene;indolizine;1H-isoindole;isoquinoline;naphthalene;phthalazine;pyrimidine;1H-pyrrole;bis(2H-pyrrole);quinoline;1,2,3,4-tetrahydronaphthalene;thiophene is sourced from PubChem (CID 157147634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).