2,7-di(propan-2-yl)-9H-carbazole;3,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)dibenzothiophene;2,7-di(propan-2-yl)-9,10-dihydrophenanthrene;2,7-di(propan-2-yl)-9H-fluorene;5,8-di(propan-2-yl)isoquinoline;3,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;3,6-di(propan-2-yl)thieno[3,2-b]thiophene;ethane;3-methyl-4,7-di(propan-2-yl)-2,1,3-benzothiadiazol-3-ium

C194H278N5OS8+ — CID 158737556

IUPAC2,7-di(propan-2-yl)-9H-carbazole;3,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)dibenzothiophene;2,7-di(propan-2-yl)-9,10-dihydrophenanthrene;2,7-di(propan-2-yl)-9H-fluorene;5,8-di(propan-2-yl)isoquinoline;3,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;3,6-di(propan-2-yl)thieno[3,2-b]thiophene;ethane;3-methyl-4,7-di(propan-2-yl)-2,1,3-benzothiadiazol-3-ium
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc2cc(C(C)C)sc2s1.CC(C)c1cc2sc(C(C)C)cc2s1.CC(C)c1ccc(C(C)C)c2c1ns[n+]2C.CC(C)c1ccc(C(C)C)c2cnccc12.CC(C)c1ccc2c(c1)CCc1cc(C(C)C)ccc1-2.CC(C)c1ccc2c(c1)Cc1cc(C(C)C)ccc1-2.CC(C)c1ccc2c(c1)[nH]c1cc(C(C)C)ccc12.CC(C)c1ccc2c(c1)oc1cc(C(C)C)ccc12.CC(C)c1ccc2c(c1)sc1cc(C(C)C)ccc12.CC(C)c1cnc2cc(C(C)C)ccc2c1.CC(C)c1csc2c(C(C)C)csc12
InChIInChI=1S/C20H24.C19H22.C18H21N.C18H20O.C18H20S.2C15H19N.C13H19N2S.3C12H16S2.11C2H6/c1-13(2)15-7-9-19-17(11-15)5-6-18-12-16(14(3)4)8-10-20(18)19;1-12(2)14-5-7-18-16(9-14)11-17-10-15(13(3)4)6-8-19(17)18;3*1-11(2)13-5-7-15-16-8-6-14(12(3)4)10-18(16)19-17(15)9-13;1-10(2)12-5-6-13-7-14(11(3)4)9-16-15(13)8-12;1-10(2)12-5-6-13(11(3)4)15-9-16-8-7-14(12)15;1-8(2)10-6-7-11(9(3)4)13-12(10)14-16-15(13)5;1-7(2)9-5-13-12-10(8(3)4)6-14-11(9)12;1-7(2)9-5-11-12(13-9)6-10(14-11)8(3)4;1-7(2)10-5-9-6-11(8(3)4)14-12(9)13-10;11*1-2/h7-14H,5-6H2,1-4H3;5-10,12-13H,11H2,1-4H3;5-12,19H,1-4H3;2*5-12H,1-4H3;2*5-11H,1-4H3;6-9H,1-5H3;3*5-8H,1-4H3;11*1-2H3/q;;;;;;;+1;;;;;;;;;;;;;;
InChIKeyJXKLHELFEGAHCG-UHFFFAOYSA-N
MW2952.93 g/mol
LogP68.15
Rot. Bonds22

About 2,7-di(propan-2-yl)-9H-carbazole;3,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)dibenzothiophene;2,7-di(propan-2-yl)-9,10-dihydrophenanthrene;2,7-di(propan-2-yl)-9H-fluorene;5,8-di(propan-2-yl)isoquinoline;3,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;3,6-di(propan-2-yl)thieno[3,2-b]thiophene;ethane;3-methyl-4,7-di(propan-2-yl)-2,1,3-benzothiadiazol-3-ium

2,7-di(propan-2-yl)-9H-carbazole;3,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)dibenzothiophene;2,7-di(propan-2-yl)-9,10-dihydrophenanthrene;2,7-di(propan-2-yl)-9H-fluorene;5,8-di(propan-2-yl)isoquinoline;3,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;3,6-di(propan-2-yl)thieno[3,2-b]thiophene;ethane;3-methyl-4,7-di(propan-2-yl)-2,1,3-benzothiadiazol-3-ium (PubChem CID 158737556) has the molecular formula C194H278N5OS8+ and a molecular weight of 2952.93 g/mol. Its IUPAC name is 2,7-di(propan-2-yl)-9H-carbazole;3,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)dibenzothiophene;2,7-di(propan-2-yl)-9,10-dihydrophenanthrene;2,7-di(propan-2-yl)-9H-fluorene;5,8-di(propan-2-yl)isoquinoline;3,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;3,6-di(propan-2-yl)thieno[3,2-b]thiophene;ethane;3-methyl-4,7-di(propan-2-yl)-2,1,3-benzothiadiazol-3-ium.

Molecular Properties

Compound Name2,7-di(propan-2-yl)-9H-carbazole;3,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)dibenzothiophene;2,7-di(propan-2-yl)-9,10-dihydrophenanthrene;2,7-di(propan-2-yl)-9H-fluorene;5,8-di(propan-2-yl)isoquinoline;3,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;3,6-di(propan-2-yl)thieno[3,2-b]thiophene;ethane;3-methyl-4,7-di(propan-2-yl)-2,1,3-benzothiadiazol-3-ium
PubChem CID158737556
Molecular FormulaC194H278N5OS8+
Molecular Weight2952.93 g/mol
Exact Mass2949.96
IUPAC Name2,7-di(propan-2-yl)-9H-carbazole;3,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)dibenzothiophene;2,7-di(propan-2-yl)-9,10-dihydrophenanthrene;2,7-di(propan-2-yl)-9H-fluorene;5,8-di(propan-2-yl)isoquinoline;3,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;3,6-di(propan-2-yl)thieno[3,2-b]thiophene;ethane;3-methyl-4,7-di(propan-2-yl)-2,1,3-benzothiadiazol-3-ium
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc2cc(C(C)C)sc2s1.CC(C)c1cc2sc(C(C)C)cc2s1.CC(C)c1ccc(C(C)C)c2c1ns[n+]2C.CC(C)c1ccc(C(C)C)c2cnccc12.CC(C)c1ccc2c(c1)CCc1cc(C(C)C)ccc1-2.CC(C)c1ccc2c(c1)Cc1cc(C(C)C)ccc1-2.CC(C)c1ccc2c(c1)[nH]c1cc(C(C)C)ccc12.CC(C)c1ccc2c(c1)oc1cc(C(C)C)ccc12.CC(C)c1ccc2c(c1)sc1cc(C(C)C)ccc12.CC(C)c1cnc2cc(C(C)C)ccc2c1.CC(C)c1csc2c(C(C)C)csc12
InChIInChI=1S/C20H24.C19H22.C18H21N.C18H20O.C18H20S.2C15H19N.C13H19N2S.3C12H16S2.11C2H6/c1-13(2)15-7-9-19-17(11-15)5-6-18-12-16(14(3)4)8-10-20(18)19;1-12(2)14-5-7-18-16(9-14)11-17-10-15(13(3)4)6-8-19(17)18;3*1-11(2)13-5-7-15-16-8-6-14(12(3)4)10-18(16)19-17(15)9-13;1-10(2)12-5-6-13-7-14(11(3)4)9-16-15(13)8-12;1-10(2)12-5-6-13(11(3)4)15-9-16-8-7-14(12)15;1-8(2)10-6-7-11(9(3)4)13-12(10)14-16-15(13)5;1-7(2)9-5-13-12-10(8(3)4)6-14-11(9)12;1-7(2)9-5-11-12(13-9)6-10(14-11)8(3)4;1-7(2)10-5-9-6-11(8(3)4)14-12(9)13-10;11*1-2/h7-14H,5-6H2,1-4H3;5-10,12-13H,11H2,1-4H3;5-12,19H,1-4H3;2*5-12H,1-4H3;2*5-11H,1-4H3;6-9H,1-5H3;3*5-8H,1-4H3;11*1-2H3/q;;;;;;;+1;;;;;;;;;;;;;;
InChIKeyJXKLHELFEGAHCG-UHFFFAOYSA-N
XLogP68.15
TPSA71.48 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002952.93
LogP ≤ 568.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2,7-di(propan-2-yl)-9H-carbazole;3,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)dibenzothiophene;2,7-di(propan-2-yl)-9,10-dihydrophenanthrene;2,7-di(propan-2-yl)-9H-fluorene;5,8-di(propan-2-yl)isoquinoline;3,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;3,6-di(propan-2-yl)thieno[3,2-b]thiophene;ethane;3-methyl-4,7-di(propan-2-yl)-2,1,3-benzothiadiazol-3-ium with MolForge

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Related Compounds

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1-Methyldibenzofuran;4-methyldibenzofuran;1-methyldibenzothiophene;4-methyldibenzothiophene;9-methylphenanthrene;5-methyl-1,10-phenanthroline;2-methyltriphenylene
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1-Tert-butyl-4-(4-tert-butylphenyl)benzene;4-tert-butyldibenzofuran;4-tert-butyldibenzothiophene;1-tert-butyl-9,9-dimethylfluorene;1-tert-butyl-4-(3-methylphenyl)benzene;1-tert-butyl-2,3,4,5,6-pentadeuteriobenzene;1-tert-butylphenanthrene;3-tert-butyl-1,10-phenanthroline
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benzo[e][1]benzofuran;benzo[e][1]benzothiole;3H-benzo[e]indole;3H-cyclopenta[a]naphthalene;1,2-dihydrobenzo[e][1]benzofuran;1,2-dihydrobenzo[e][1]benzothiole;2,3-dihydro-1H-benzo[e]indole;2,3-dihydro-1H-cyclopenta[a]naphthalene;2H-naphthalen-2-ide;phenanthrene;yttrium
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21-(4-Anthracen-2-yl-2-pyridinyl)-23-thia-20-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;9-[2-dibenzofuran-3-yl-6-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)-4-pyridinyl]carbazole;2-naphthalen-1-yl-9-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-21-yl)-1,10-phenanthroline;21-[3-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]-23-thia-20-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
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Frequently Asked Questions

What is the IUPAC name of 2,7-di(propan-2-yl)-9H-carbazole;3,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)dibenzothiophene;2,7-di(propan-2-yl)-9,10-dihydrophenanthrene;2,7-di(propan-2-yl)-9H-fluorene;5,8-di(propan-2-yl)isoquinoline;3,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;3,6-di(propan-2-yl)thieno[3,2-b]thiophene;ethane;3-methyl-4,7-di(propan-2-yl)-2,1,3-benzothiadiazol-3-ium?
The IUPAC name of 2,7-di(propan-2-yl)-9H-carbazole;3,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)dibenzothiophene;2,7-di(propan-2-yl)-9,10-dihydrophenanthrene;2,7-di(propan-2-yl)-9H-fluorene;5,8-di(propan-2-yl)isoquinoline;3,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;3,6-di(propan-2-yl)thieno[3,2-b]thiophene;ethane;3-methyl-4,7-di(propan-2-yl)-2,1,3-benzothiadiazol-3-ium (CID 158737556) is 2,7-di(propan-2-yl)-9H-carbazole;3,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)dibenzothiophene;2,7-di(propan-2-yl)-9,10-dihydrophenanthrene;2,7-di(propan-2-yl)-9H-fluorene;5,8-di(propan-2-yl)isoquinoline;3,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;3,6-di(propan-2-yl)thieno[3,2-b]thiophene;ethane;3-methyl-4,7-di(propan-2-yl)-2,1,3-benzothiadiazol-3-ium.
What is the SMILES notation for 2,7-di(propan-2-yl)-9H-carbazole;3,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)dibenzothiophene;2,7-di(propan-2-yl)-9,10-dihydrophenanthrene;2,7-di(propan-2-yl)-9H-fluorene;5,8-di(propan-2-yl)isoquinoline;3,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;3,6-di(propan-2-yl)thieno[3,2-b]thiophene;ethane;3-methyl-4,7-di(propan-2-yl)-2,1,3-benzothiadiazol-3-ium?
The canonical SMILES for 2,7-di(propan-2-yl)-9H-carbazole;3,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)dibenzothiophene;2,7-di(propan-2-yl)-9,10-dihydrophenanthrene;2,7-di(propan-2-yl)-9H-fluorene;5,8-di(propan-2-yl)isoquinoline;3,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;3,6-di(propan-2-yl)thieno[3,2-b]thiophene;ethane;3-methyl-4,7-di(propan-2-yl)-2,1,3-benzothiadiazol-3-ium is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc2cc(C(C)C)sc2s1.CC(C)c1cc2sc(C(C)C)cc2s1.CC(C)c1ccc(C(C)C)c2c1ns[n+]2C.CC(C)c1ccc(C(C)C)c2cnccc12.CC(C)c1ccc2c(c1)CCc1cc(C(C)C)ccc1-2.CC(C)c1ccc2c(c1)Cc1cc(C(C)C)ccc1-2.CC(C)c1ccc2c(c1)[nH]c1cc(C(C)C)ccc12.CC(C)c1ccc2c(c1)oc1cc(C(C)C)ccc12.CC(C)c1ccc2c(c1)sc1cc(C(C)C)ccc12.CC(C)c1cnc2cc(C(C)C)ccc2c1.CC(C)c1csc2c(C(C)C)csc12.
What is the InChIKey of 2,7-di(propan-2-yl)-9H-carbazole;3,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)dibenzothiophene;2,7-di(propan-2-yl)-9,10-dihydrophenanthrene;2,7-di(propan-2-yl)-9H-fluorene;5,8-di(propan-2-yl)isoquinoline;3,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;3,6-di(propan-2-yl)thieno[3,2-b]thiophene;ethane;3-methyl-4,7-di(propan-2-yl)-2,1,3-benzothiadiazol-3-ium?
The InChIKey is JXKLHELFEGAHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24.C19H22.C18H21N.C18H20O.C18H20S.2C15H19N.C13H19N2S.3C12H16S2.11C2H6/c1-13(2)15-7-9-19-17(11-15)5-6-18-12-16(14(3)4)8-10-20(18)19;1-12(2)14-5-7-18-16(9-14)11-17-10-15(13(3)4)6-8-19(17)18;3*1-11(2)13-5-7-15-16-8-6-14(12(3)4)10-18(16)19-17(15)9-13;1-10(2)12-5-6-13-7-14(11(3)4)9-16-15(13)8-12;1-10(2)12-5-6-13(11(3)4)15-9-16-8-7-14(12)15;1-8(2)10-6-7-11(9(3)4)13-12(10)14-16-15(13)5;1-7(2)9-5-13-12-10(8(3)4)6-14-11(9)12;1-7(2)9-5-11-12(13-9)6-10(14-11)8(3)4;1-7(2)10-5-9-6-11(8(3)4)14-12(9)13-10;11*1-2/h7-14H,5-6H2,1-4H3;5-10,12-13H,11H2,1-4H3;5-12,19H,1-4H3;2*5-12H,1-4H3;2*5-11H,1-4H3;6-9H,1-5H3;3*5-8H,1-4H3;11*1-2H3/q;;;;;;;+1;;;;;;;;;;;;;;.
What are the key properties of 2,7-di(propan-2-yl)-9H-carbazole;3,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)dibenzothiophene;2,7-di(propan-2-yl)-9,10-dihydrophenanthrene;2,7-di(propan-2-yl)-9H-fluorene;5,8-di(propan-2-yl)isoquinoline;3,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;3,6-di(propan-2-yl)thieno[3,2-b]thiophene;ethane;3-methyl-4,7-di(propan-2-yl)-2,1,3-benzothiadiazol-3-ium?
2,7-di(propan-2-yl)-9H-carbazole;3,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)dibenzothiophene;2,7-di(propan-2-yl)-9,10-dihydrophenanthrene;2,7-di(propan-2-yl)-9H-fluorene;5,8-di(propan-2-yl)isoquinoline;3,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;3,6-di(propan-2-yl)thieno[3,2-b]thiophene;ethane;3-methyl-4,7-di(propan-2-yl)-2,1,3-benzothiadiazol-3-ium has a molecular weight of 2952.93 g/mol, XLogP of 68.15, 22 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-di(propan-2-yl)-9H-carbazole;3,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)dibenzothiophene;2,7-di(propan-2-yl)-9,10-dihydrophenanthrene;2,7-di(propan-2-yl)-9H-fluorene;5,8-di(propan-2-yl)isoquinoline;3,7-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;3,6-di(propan-2-yl)thieno[3,2-b]thiophene;ethane;3-methyl-4,7-di(propan-2-yl)-2,1,3-benzothiadiazol-3-ium is sourced from PubChem (CID 158737556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).