2,3-di(propan-2-yl)-1-benzofuran;bis(2,3-di(propan-2-yl)-1-benzothiophene);5,6-di(propan-2-yl)isoquinoline;7,8-di(propan-2-yl)isoquinoline;4,5-di(propan-2-yl)pyridazine;3,4-di(propan-2-yl)pyridine;5,6-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoline;7,8-di(propan-2-yl)quinoline

C138H182N8OS2 — CID 160781174

IUPAC2,3-di(propan-2-yl)-1-benzofuran;bis(2,3-di(propan-2-yl)-1-benzothiophene);5,6-di(propan-2-yl)isoquinoline;7,8-di(propan-2-yl)isoquinoline;4,5-di(propan-2-yl)pyridazine;3,4-di(propan-2-yl)pyridine;5,6-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoline;7,8-di(propan-2-yl)quinoline
SMILESCC(C)c1cc2cccnc2cc1C(C)C.CC(C)c1ccc2cccnc2c1C(C)C.CC(C)c1ccc2ccncc2c1C(C)C.CC(C)c1ccc2cnccc2c1C(C)C.CC(C)c1ccc2ncccc2c1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1cnncc1C(C)C.CC(C)c1oc2ccccc2c1C(C)C.CC(C)c1sc2ccccc2c1C(C)C.CC(C)c1sc2ccccc2c1C(C)C
InChIInChI=1S/5C15H19N.C14H18O.2C14H18S.C11H17N.C10H16N2/c1-10(2)13-6-5-12-9-16-8-7-14(12)15(13)11(3)4;1-10(2)13-6-5-12-7-8-16-9-14(12)15(13)11(3)4;1-10(2)12-7-8-14-13(6-5-9-16-14)15(12)11(3)4;1-10(2)13-8-7-12-6-5-9-16-15(12)14(13)11(3)4;1-10(2)13-8-12-6-5-7-16-15(12)9-14(13)11(3)4;3*1-9(2)13-11-7-5-6-8-12(11)15-14(13)10(3)4;1-8(2)10-5-6-12-7-11(10)9(3)4;1-7(2)9-5-11-12-6-10(9)8(3)4/h5*5-11H,1-4H3;3*5-10H,1-4H3;5-9H,1-4H3;5-8H,1-4H3
InChIKeySAPBRUAQSNKJEG-UHFFFAOYSA-N
MW2033.16 g/mol
LogP43.44
Rot. Bonds20

About 2,3-di(propan-2-yl)-1-benzofuran;bis(2,3-di(propan-2-yl)-1-benzothiophene);5,6-di(propan-2-yl)isoquinoline;7,8-di(propan-2-yl)isoquinoline;4,5-di(propan-2-yl)pyridazine;3,4-di(propan-2-yl)pyridine;5,6-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoline;7,8-di(propan-2-yl)quinoline

2,3-di(propan-2-yl)-1-benzofuran;bis(2,3-di(propan-2-yl)-1-benzothiophene);5,6-di(propan-2-yl)isoquinoline;7,8-di(propan-2-yl)isoquinoline;4,5-di(propan-2-yl)pyridazine;3,4-di(propan-2-yl)pyridine;5,6-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoline;7,8-di(propan-2-yl)quinoline (PubChem CID 160781174) has the molecular formula C138H182N8OS2 and a molecular weight of 2033.16 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)-1-benzofuran;bis(2,3-di(propan-2-yl)-1-benzothiophene);5,6-di(propan-2-yl)isoquinoline;7,8-di(propan-2-yl)isoquinoline;4,5-di(propan-2-yl)pyridazine;3,4-di(propan-2-yl)pyridine;5,6-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoline;7,8-di(propan-2-yl)quinoline.

Molecular Properties

Compound Name2,3-di(propan-2-yl)-1-benzofuran;bis(2,3-di(propan-2-yl)-1-benzothiophene);5,6-di(propan-2-yl)isoquinoline;7,8-di(propan-2-yl)isoquinoline;4,5-di(propan-2-yl)pyridazine;3,4-di(propan-2-yl)pyridine;5,6-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoline;7,8-di(propan-2-yl)quinoline
PubChem CID160781174
Molecular FormulaC138H182N8OS2
Molecular Weight2033.16 g/mol
Exact Mass2031.39
IUPAC Name2,3-di(propan-2-yl)-1-benzofuran;bis(2,3-di(propan-2-yl)-1-benzothiophene);5,6-di(propan-2-yl)isoquinoline;7,8-di(propan-2-yl)isoquinoline;4,5-di(propan-2-yl)pyridazine;3,4-di(propan-2-yl)pyridine;5,6-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoline;7,8-di(propan-2-yl)quinoline
SMILESCC(C)c1cc2cccnc2cc1C(C)C.CC(C)c1ccc2cccnc2c1C(C)C.CC(C)c1ccc2ccncc2c1C(C)C.CC(C)c1ccc2cnccc2c1C(C)C.CC(C)c1ccc2ncccc2c1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1cnncc1C(C)C.CC(C)c1oc2ccccc2c1C(C)C.CC(C)c1sc2ccccc2c1C(C)C.CC(C)c1sc2ccccc2c1C(C)C
InChIInChI=1S/5C15H19N.C14H18O.2C14H18S.C11H17N.C10H16N2/c1-10(2)13-6-5-12-9-16-8-7-14(12)15(13)11(3)4;1-10(2)13-6-5-12-7-8-16-9-14(12)15(13)11(3)4;1-10(2)12-7-8-14-13(6-5-9-16-14)15(12)11(3)4;1-10(2)13-8-7-12-6-5-9-16-15(12)14(13)11(3)4;1-10(2)13-8-12-6-5-7-16-15(12)9-14(13)11(3)4;3*1-9(2)13-11-7-5-6-8-12(11)15-14(13)10(3)4;1-8(2)10-5-6-12-7-11(10)9(3)4;1-7(2)9-5-11-12-6-10(9)8(3)4/h5*5-11H,1-4H3;3*5-10H,1-4H3;5-9H,1-4H3;5-8H,1-4H3
InChIKeySAPBRUAQSNKJEG-UHFFFAOYSA-N
XLogP43.44
TPSA116.26 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002033.16
LogP ≤ 543.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2,3-di(propan-2-yl)-1-benzofuran;bis(2,3-di(propan-2-yl)-1-benzothiophene);5,6-di(propan-2-yl)isoquinoline;7,8-di(propan-2-yl)isoquinoline;4,5-di(propan-2-yl)pyridazine;3,4-di(propan-2-yl)pyridine;5,6-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoline;7,8-di(propan-2-yl)quinoline with MolForge

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Related Compounds

3-dibenzothiophen-2-yl-8-[3-[(1E)-2-[4-(8-dibenzothiophen-4-yl-5,6-difluoro-1,10-phenanthrolin-3-yl)dibenzothiophen-2-yl]buta-1,3-dienyl]-2-methyl-1-benzofuran-5-yl]-5,6-difluoro-1,10-phenanthroline
CID 134446094
15-(1-benzothiophen-3-yl)-17-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-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;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;15-(9-phenylcarbazol-3-yl)-10-oxa-19,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;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 157258443
9-Dibenzothiophen-2-yl-3-(8-pyridin-2-yldibenzofuran-2-yl)-6-(2-pyridin-2-ylphenyl)carbazole
CID 57958319
9-Phenyl-3-(2-pyridin-2-ylphenyl)-6-[8-[2-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole
CID 58059180
9-[3-(8-Dibenzofuran-2-yldibenzothiophen-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole
CID 58501544
2-[2-[8-[8-[8-(2-Pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-2-yl]dibenzofuran-2-yl]phenyl]pyridine
CID 58501591
2-[2-[8-[(Z)-4-[3-methyl-5-(2-pyridin-2-ylphenyl)-1-benzothiophen-2-yl]but-3-en-2-yl]dibenzofuran-2-yl]phenyl]pyridine
CID 68173043
3-Dibenzothiophen-2-yl-9-[3-[8-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole
CID 71278025
N-(4-dibenzofuran-4-ylphenyl)-N-[6-[2-[(1Z,3Z)-penta-1,3-dienyl]-1-benzothiophen-5-yl]-3-pyridinyl]quinolin-8-amine
CID 88899026
11-(3-Dibenzofuran-4-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine
CID 89417085
7-(3-Dibenzofuran-4-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine
CID 89417103
N-(4-dibenzofuran-4-ylphenyl)-N-(6-dibenzothiophen-2-yl-3-pyridinyl)quinolin-8-amine
CID 89531511

Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yl)-1-benzofuran;bis(2,3-di(propan-2-yl)-1-benzothiophene);5,6-di(propan-2-yl)isoquinoline;7,8-di(propan-2-yl)isoquinoline;4,5-di(propan-2-yl)pyridazine;3,4-di(propan-2-yl)pyridine;5,6-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoline;7,8-di(propan-2-yl)quinoline?
The IUPAC name of 2,3-di(propan-2-yl)-1-benzofuran;bis(2,3-di(propan-2-yl)-1-benzothiophene);5,6-di(propan-2-yl)isoquinoline;7,8-di(propan-2-yl)isoquinoline;4,5-di(propan-2-yl)pyridazine;3,4-di(propan-2-yl)pyridine;5,6-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoline;7,8-di(propan-2-yl)quinoline (CID 160781174) is 2,3-di(propan-2-yl)-1-benzofuran;bis(2,3-di(propan-2-yl)-1-benzothiophene);5,6-di(propan-2-yl)isoquinoline;7,8-di(propan-2-yl)isoquinoline;4,5-di(propan-2-yl)pyridazine;3,4-di(propan-2-yl)pyridine;5,6-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoline;7,8-di(propan-2-yl)quinoline.
What is the SMILES notation for 2,3-di(propan-2-yl)-1-benzofuran;bis(2,3-di(propan-2-yl)-1-benzothiophene);5,6-di(propan-2-yl)isoquinoline;7,8-di(propan-2-yl)isoquinoline;4,5-di(propan-2-yl)pyridazine;3,4-di(propan-2-yl)pyridine;5,6-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoline;7,8-di(propan-2-yl)quinoline?
The canonical SMILES for 2,3-di(propan-2-yl)-1-benzofuran;bis(2,3-di(propan-2-yl)-1-benzothiophene);5,6-di(propan-2-yl)isoquinoline;7,8-di(propan-2-yl)isoquinoline;4,5-di(propan-2-yl)pyridazine;3,4-di(propan-2-yl)pyridine;5,6-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoline;7,8-di(propan-2-yl)quinoline is CC(C)c1cc2cccnc2cc1C(C)C.CC(C)c1ccc2cccnc2c1C(C)C.CC(C)c1ccc2ccncc2c1C(C)C.CC(C)c1ccc2cnccc2c1C(C)C.CC(C)c1ccc2ncccc2c1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1cnncc1C(C)C.CC(C)c1oc2ccccc2c1C(C)C.CC(C)c1sc2ccccc2c1C(C)C.CC(C)c1sc2ccccc2c1C(C)C.
What is the InChIKey of 2,3-di(propan-2-yl)-1-benzofuran;bis(2,3-di(propan-2-yl)-1-benzothiophene);5,6-di(propan-2-yl)isoquinoline;7,8-di(propan-2-yl)isoquinoline;4,5-di(propan-2-yl)pyridazine;3,4-di(propan-2-yl)pyridine;5,6-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoline;7,8-di(propan-2-yl)quinoline?
The InChIKey is SAPBRUAQSNKJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/5C15H19N.C14H18O.2C14H18S.C11H17N.C10H16N2/c1-10(2)13-6-5-12-9-16-8-7-14(12)15(13)11(3)4;1-10(2)13-6-5-12-7-8-16-9-14(12)15(13)11(3)4;1-10(2)12-7-8-14-13(6-5-9-16-14)15(12)11(3)4;1-10(2)13-8-7-12-6-5-9-16-15(12)14(13)11(3)4;1-10(2)13-8-12-6-5-7-16-15(12)9-14(13)11(3)4;3*1-9(2)13-11-7-5-6-8-12(11)15-14(13)10(3)4;1-8(2)10-5-6-12-7-11(10)9(3)4;1-7(2)9-5-11-12-6-10(9)8(3)4/h5*5-11H,1-4H3;3*5-10H,1-4H3;5-9H,1-4H3;5-8H,1-4H3.
What are the key properties of 2,3-di(propan-2-yl)-1-benzofuran;bis(2,3-di(propan-2-yl)-1-benzothiophene);5,6-di(propan-2-yl)isoquinoline;7,8-di(propan-2-yl)isoquinoline;4,5-di(propan-2-yl)pyridazine;3,4-di(propan-2-yl)pyridine;5,6-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoline;7,8-di(propan-2-yl)quinoline?
2,3-di(propan-2-yl)-1-benzofuran;bis(2,3-di(propan-2-yl)-1-benzothiophene);5,6-di(propan-2-yl)isoquinoline;7,8-di(propan-2-yl)isoquinoline;4,5-di(propan-2-yl)pyridazine;3,4-di(propan-2-yl)pyridine;5,6-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoline;7,8-di(propan-2-yl)quinoline has a molecular weight of 2033.16 g/mol, XLogP of 43.44, 20 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)-1-benzofuran;bis(2,3-di(propan-2-yl)-1-benzothiophene);5,6-di(propan-2-yl)isoquinoline;7,8-di(propan-2-yl)isoquinoline;4,5-di(propan-2-yl)pyridazine;3,4-di(propan-2-yl)pyridine;5,6-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoline;7,8-di(propan-2-yl)quinoline is sourced from PubChem (CID 160781174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).