2,5-di(propan-2-yl)-1-benzofuran;2,4-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)-4H-naphthalen-1-one;2,8-di(propan-2-yl)-1,6-naphthyridine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinoline;2,6-di(propan-2-yl)quinoxaline

C171H224N10O2S — CID 157244457

IUPAC2,5-di(propan-2-yl)-1-benzofuran;2,4-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)-4H-naphthalen-1-one;2,8-di(propan-2-yl)-1,6-naphthyridine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinoline;2,6-di(propan-2-yl)quinoxaline
SMILESCC(C)C1=CCc2ccc(C(C)C)cc2C1=O.CC(C)C1=Cc2cc(C(C)C)ccc2C1.CC(C)C1=Nc2cc(C(C)C)ccc2C1.CC(C)c1cc2c(C(C)C)cccc2cn1.CC(C)c1cc2c(C(C)C)cccc2s1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc2cc(C(C)C)ccc2c1.CC(C)c1ccc2cncc(C(C)C)c2n1.CC(C)c1ccc2nc(C(C)C)ccc2c1.CC(C)c1ccc2nc(C(C)C)cn2c1.CC(C)c1ccc2nc(C(C)C)cnc2c1.CC(C)c1ccc2oc(C(C)C)cc2c1
InChIInChI=1S/C16H20O.C16H20.2C15H19N.C15H20.2C14H18N2.C14H19N.C14H18O.C14H18S.C13H18N2.C11H17N/c1-10(2)13-6-5-12-7-8-14(11(3)4)16(17)15(12)9-13;1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-10(2)12-5-8-15-13(9-12)6-7-14(16-15)11(3)4;1-10(2)13-7-5-6-12-9-16-15(11(3)4)8-14(12)13;1-10(2)12-5-6-13-8-14(11(3)4)9-15(13)7-12;1-9(2)12-8-15-7-11-5-6-13(10(3)4)16-14(11)12;1-9(2)11-5-6-12-13(7-11)15-8-14(16-12)10(3)4;1-9(2)11-5-6-12-8-13(10(3)4)15-14(12)7-11;1-9(2)11-5-6-13-12(7-11)8-14(15-13)10(3)4;1-9(2)11-6-5-7-13-12(11)8-14(15-13)10(3)4;1-9(2)11-5-6-13-14-12(10(3)4)8-15(13)7-11;1-8(2)10-5-6-11(9(3)4)12-7-10/h5-6,8-11H,7H2,1-4H3;5-12H,1-4H3;2*5-11H,1-4H3;5-7,9-11H,8H2,1-4H3;2*5-10H,1-4H3;5-7,9-10H,8H2,1-4H3;3*5-10H,1-4H3;5-9H,1-4H3
InChIKeyAVOYVHKCYDCUED-UHFFFAOYSA-N
MW2483.81 g/mol
LogP51.17
Rot. Bonds24

About 2,5-di(propan-2-yl)-1-benzofuran;2,4-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)-4H-naphthalen-1-one;2,8-di(propan-2-yl)-1,6-naphthyridine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinoline;2,6-di(propan-2-yl)quinoxaline

2,5-di(propan-2-yl)-1-benzofuran;2,4-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)-4H-naphthalen-1-one;2,8-di(propan-2-yl)-1,6-naphthyridine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinoline;2,6-di(propan-2-yl)quinoxaline (PubChem CID 157244457) has the molecular formula C171H224N10O2S and a molecular weight of 2483.81 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-1-benzofuran;2,4-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)-4H-naphthalen-1-one;2,8-di(propan-2-yl)-1,6-naphthyridine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinoline;2,6-di(propan-2-yl)quinoxaline.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-1-benzofuran;2,4-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)-4H-naphthalen-1-one;2,8-di(propan-2-yl)-1,6-naphthyridine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinoline;2,6-di(propan-2-yl)quinoxaline
PubChem CID157244457
Molecular FormulaC171H224N10O2S
Molecular Weight2483.81 g/mol
Exact Mass2481.75
IUPAC Name2,5-di(propan-2-yl)-1-benzofuran;2,4-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)-4H-naphthalen-1-one;2,8-di(propan-2-yl)-1,6-naphthyridine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinoline;2,6-di(propan-2-yl)quinoxaline
SMILESCC(C)C1=CCc2ccc(C(C)C)cc2C1=O.CC(C)C1=Cc2cc(C(C)C)ccc2C1.CC(C)C1=Nc2cc(C(C)C)ccc2C1.CC(C)c1cc2c(C(C)C)cccc2cn1.CC(C)c1cc2c(C(C)C)cccc2s1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc2cc(C(C)C)ccc2c1.CC(C)c1ccc2cncc(C(C)C)c2n1.CC(C)c1ccc2nc(C(C)C)ccc2c1.CC(C)c1ccc2nc(C(C)C)cn2c1.CC(C)c1ccc2nc(C(C)C)cnc2c1.CC(C)c1ccc2oc(C(C)C)cc2c1
InChIInChI=1S/C16H20O.C16H20.2C15H19N.C15H20.2C14H18N2.C14H19N.C14H18O.C14H18S.C13H18N2.C11H17N/c1-10(2)13-6-5-12-7-8-14(11(3)4)16(17)15(12)9-13;1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-10(2)12-5-8-15-13(9-12)6-7-14(16-15)11(3)4;1-10(2)13-7-5-6-12-9-16-15(11(3)4)8-14(12)13;1-10(2)12-5-6-13-8-14(11(3)4)9-15(13)7-12;1-9(2)12-8-15-7-11-5-6-13(10(3)4)16-14(11)12;1-9(2)11-5-6-12-13(7-11)15-8-14(16-12)10(3)4;1-9(2)11-5-6-12-8-13(10(3)4)15-14(12)7-11;1-9(2)11-5-6-13-12(7-11)8-14(15-13)10(3)4;1-9(2)11-6-5-7-13-12(11)8-14(15-13)10(3)4;1-9(2)11-5-6-13-14-12(10(3)4)8-15(13)7-11;1-8(2)10-5-6-11(9(3)4)12-7-10/h5-6,8-11H,7H2,1-4H3;5-12H,1-4H3;2*5-11H,1-4H3;5-7,9-11H,8H2,1-4H3;2*5-10H,1-4H3;5-7,9-10H,8H2,1-4H3;3*5-10H,1-4H3;5-9H,1-4H3
InChIKeyAVOYVHKCYDCUED-UHFFFAOYSA-N
XLogP51.17
TPSA150.10 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds24
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002483.81
LogP ≤ 551.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2,5-di(propan-2-yl)-1-benzofuran;2,4-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)-4H-naphthalen-1-one;2,8-di(propan-2-yl)-1,6-naphthyridine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinoline;2,6-di(propan-2-yl)quinoxaline with MolForge

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Related Compounds

18-(4-Dibenzofuran-2-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-22-fluoro-5-isoquinolin-5-yl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene
CID 134276447
2-[6-[4-(4-Tert-butylphenyl)-6-[8-[6-[4-[6-[2-(3-fluorophenyl)-3-pyridinyl]dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-2-yl]-6-phenyldibenzothiophen-4-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]quinazoline
CID 148308671
CID 157388239
CID 157388239
CID 157442309
CID 157442309
CID 157652393
CID 157652393
CID 157743742
CID 157743742
CID 159393370
CID 159393370
20-(4-Methoxyphenyl)-18-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-(9-phenylcarbazol-2-yl)-23-oxa-4-azahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene
CID 160627340
15-dibenzofuran-2-yl-20-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;15-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-oxa-17,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;4-(19-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-15-yl)-N,N-diphenylaniline;12-phenyl-17-oxa-9-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1,3,5,7,9,11,13,15,18,20,22,24-dodecaene;12-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-17-oxa-10-azahexacyclo[12.11.0.02,11.04,9.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene
CID 161212579
CID 161814794
CID 161814794
12-Dibenzothiophen-4-yl-23-thia-10-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;20-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-18-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 161901264
Benzene;benzonitrile;1,1'-biphenyl;tetrakis(tert-butylbenzene);9-tert-butylcarbazole;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;hexadecakis(2,2-dimethylpropane);fluorobenzene;4-methylpyridine;2-methylpyrimidine;naphthalene;phenanthrene;bis(pyridine);bis(pyrimidine);toluene;trifluoromethylbenzene
CID 164951135

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-1-benzofuran;2,4-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)-4H-naphthalen-1-one;2,8-di(propan-2-yl)-1,6-naphthyridine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinoline;2,6-di(propan-2-yl)quinoxaline?
The IUPAC name of 2,5-di(propan-2-yl)-1-benzofuran;2,4-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)-4H-naphthalen-1-one;2,8-di(propan-2-yl)-1,6-naphthyridine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinoline;2,6-di(propan-2-yl)quinoxaline (CID 157244457) is 2,5-di(propan-2-yl)-1-benzofuran;2,4-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)-4H-naphthalen-1-one;2,8-di(propan-2-yl)-1,6-naphthyridine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinoline;2,6-di(propan-2-yl)quinoxaline.
What is the SMILES notation for 2,5-di(propan-2-yl)-1-benzofuran;2,4-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)-4H-naphthalen-1-one;2,8-di(propan-2-yl)-1,6-naphthyridine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinoline;2,6-di(propan-2-yl)quinoxaline?
The canonical SMILES for 2,5-di(propan-2-yl)-1-benzofuran;2,4-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)-4H-naphthalen-1-one;2,8-di(propan-2-yl)-1,6-naphthyridine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinoline;2,6-di(propan-2-yl)quinoxaline is CC(C)C1=CCc2ccc(C(C)C)cc2C1=O.CC(C)C1=Cc2cc(C(C)C)ccc2C1.CC(C)C1=Nc2cc(C(C)C)ccc2C1.CC(C)c1cc2c(C(C)C)cccc2cn1.CC(C)c1cc2c(C(C)C)cccc2s1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc2cc(C(C)C)ccc2c1.CC(C)c1ccc2cncc(C(C)C)c2n1.CC(C)c1ccc2nc(C(C)C)ccc2c1.CC(C)c1ccc2nc(C(C)C)cn2c1.CC(C)c1ccc2nc(C(C)C)cnc2c1.CC(C)c1ccc2oc(C(C)C)cc2c1.
What is the InChIKey of 2,5-di(propan-2-yl)-1-benzofuran;2,4-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)-4H-naphthalen-1-one;2,8-di(propan-2-yl)-1,6-naphthyridine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinoline;2,6-di(propan-2-yl)quinoxaline?
The InChIKey is AVOYVHKCYDCUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O.C16H20.2C15H19N.C15H20.2C14H18N2.C14H19N.C14H18O.C14H18S.C13H18N2.C11H17N/c1-10(2)13-6-5-12-7-8-14(11(3)4)16(17)15(12)9-13;1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-10(2)12-5-8-15-13(9-12)6-7-14(16-15)11(3)4;1-10(2)13-7-5-6-12-9-16-15(11(3)4)8-14(12)13;1-10(2)12-5-6-13-8-14(11(3)4)9-15(13)7-12;1-9(2)12-8-15-7-11-5-6-13(10(3)4)16-14(11)12;1-9(2)11-5-6-12-13(7-11)15-8-14(16-12)10(3)4;1-9(2)11-5-6-12-8-13(10(3)4)15-14(12)7-11;1-9(2)11-5-6-13-12(7-11)8-14(15-13)10(3)4;1-9(2)11-6-5-7-13-12(11)8-14(15-13)10(3)4;1-9(2)11-5-6-13-14-12(10(3)4)8-15(13)7-11;1-8(2)10-5-6-11(9(3)4)12-7-10/h5-6,8-11H,7H2,1-4H3;5-12H,1-4H3;2*5-11H,1-4H3;5-7,9-11H,8H2,1-4H3;2*5-10H,1-4H3;5-7,9-10H,8H2,1-4H3;3*5-10H,1-4H3;5-9H,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)-1-benzofuran;2,4-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)-4H-naphthalen-1-one;2,8-di(propan-2-yl)-1,6-naphthyridine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinoline;2,6-di(propan-2-yl)quinoxaline?
2,5-di(propan-2-yl)-1-benzofuran;2,4-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)-4H-naphthalen-1-one;2,8-di(propan-2-yl)-1,6-naphthyridine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinoline;2,6-di(propan-2-yl)quinoxaline has a molecular weight of 2483.81 g/mol, XLogP of 51.17, 24 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-1-benzofuran;2,4-di(propan-2-yl)-1-benzothiophene;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-3H-indole;3,5-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)-4H-naphthalen-1-one;2,8-di(propan-2-yl)-1,6-naphthyridine;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)quinoline;2,6-di(propan-2-yl)quinoxaline is sourced from PubChem (CID 157244457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).