6,7-di(propan-2-yl)-1,2,3-benzotriazine;bis(6,7-di(propan-2-yl)cinnoline);6,7-di(propan-2-yl)-3,4-dihydro-2H-chromene;tris(6,7-di(propan-2-yl)isoquinoline);6,7-di(propan-2-yl)phthalazine;6,7-di(propan-2-yl)quinazoline;tris(6,7-di(propan-2-yl)quinoline);tetrakis(6,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene);bis(6,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline)
C268H367N19O — CID 158119194
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC6,7-di(propan-2-yl)-1,2,3-benzotriazine;bis(6,7-di(propan-2-yl)cinnoline);6,7-di(propan-2-yl)-3,4-dihydro-2H-chromene;tris(6,7-di(propan-2-yl)isoquinoline);6,7-di(propan-2-yl)phthalazine;6,7-di(propan-2-yl)quinazoline;tris(6,7-di(propan-2-yl)quinoline);tetrakis(6,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene);bis(6,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline)
SMILESCC(C)c1cc2c(cc1C(C)C)CCCC2.CC(C)c1cc2c(cc1C(C)C)CCCC2.CC(C)c1cc2c(cc1C(C)C)CCCC2.CC(C)c1cc2c(cc1C(C)C)CCCC2.CC(C)c1cc2c(cc1C(C)C)NCCC2.CC(C)c1cc2c(cc1C(C)C)NCCC2.CC(C)c1cc2c(cc1C(C)C)OCCC2.CC(C)c1cc2cccnc2cc1C(C)C.CC(C)c1cc2cccnc2cc1C(C)C.CC(C)c1cc2cccnc2cc1C(C)C.CC(C)c1cc2ccncc2cc1C(C)C.CC(C)c1cc2ccncc2cc1C(C)C.CC(C)c1cc2ccncc2cc1C(C)C.CC(C)c1cc2ccnnc2cc1C(C)C.CC(C)c1cc2ccnnc2cc1C(C)C.CC(C)c1cc2cncnc2cc1C(C)C.CC(C)c1cc2cnncc2cc1C(C)C.CC(C)c1cc2cnnnc2cc1C(C)C
InChIInChI=1S/4C16H24.3C15H19N.2C15H23N.3C15H19N.C15H22O.4C14H18N2.C13H17N3/c4*1-11(2)15-9-13-7-5-6-8-14(13)10-16(15)12(3)4;3*1-10(2)14-7-12-5-6-16-9-13(12)8-15(14)11(3)4;6*1-10(2)13-8-12-6-5-7-16-15(12)9-14(13)11(3)4;1-9(2)13-5-11-7-15-16-8-12(11)6-14(13)10(3)4;1-9(2)12-5-11-7-15-8-16-14(11)6-13(12)10(3)4;2*1-9(2)12-7-11-5-6-15-16-14(11)8-13(12)10(3)4;1-8(2)11-5-10-7-14-16-15-13(10)6-12(11)9(3)4/h4*9-12H,5-8H2,1-4H3;3*5-11H,1-4H3;2*8-11,16H,5-7H2,1-4H3;3*5-11H,1-4H3;8-11H,5-7H2,1-4H3;4*5-10H,1-4H3;5-9H,1-4H3
InChIKeyFRJXZJOATRKJFG-UHFFFAOYSA-N
MW3871.02 g/mol
LogP77.76
Rot. Bonds36
About 6,7-di(propan-2-yl)-1,2,3-benzotriazine;bis(6,7-di(propan-2-yl)cinnoline);6,7-di(propan-2-yl)-3,4-dihydro-2H-chromene;tris(6,7-di(propan-2-yl)isoquinoline);6,7-di(propan-2-yl)phthalazine;6,7-di(propan-2-yl)quinazoline;tris(6,7-di(propan-2-yl)quinoline);tetrakis(6,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene);bis(6,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline)
6,7-di(propan-2-yl)-1,2,3-benzotriazine;bis(6,7-di(propan-2-yl)cinnoline);6,7-di(propan-2-yl)-3,4-dihydro-2H-chromene;tris(6,7-di(propan-2-yl)isoquinoline);6,7-di(propan-2-yl)phthalazine;6,7-di(propan-2-yl)quinazoline;tris(6,7-di(propan-2-yl)quinoline);tetrakis(6,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene);bis(6,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline) (PubChem CID 158119194) has the molecular formula C268H367N19O and a molecular weight of 3871.02 g/mol. Its IUPAC name is 6,7-di(propan-2-yl)-1,2,3-benzotriazine;bis(6,7-di(propan-2-yl)cinnoline);6,7-di(propan-2-yl)-3,4-dihydro-2H-chromene;tris(6,7-di(propan-2-yl)isoquinoline);6,7-di(propan-2-yl)phthalazine;6,7-di(propan-2-yl)quinazoline;tris(6,7-di(propan-2-yl)quinoline);tetrakis(6,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene);bis(6,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline).
Molecular Properties
| Compound Name | 6,7-di(propan-2-yl)-1,2,3-benzotriazine;bis(6,7-di(propan-2-yl)cinnoline);6,7-di(propan-2-yl)-3,4-dihydro-2H-chromene;tris(6,7-di(propan-2-yl)isoquinoline);6,7-di(propan-2-yl)phthalazine;6,7-di(propan-2-yl)quinazoline;tris(6,7-di(propan-2-yl)quinoline);tetrakis(6,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene);bis(6,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline) |
|---|---|
| PubChem CID | 158119194 |
| Molecular Formula | C268H367N19O |
| Molecular Weight | 3871.02 g/mol |
| Exact Mass | 3867.93 |
| IUPAC Name | 6,7-di(propan-2-yl)-1,2,3-benzotriazine;bis(6,7-di(propan-2-yl)cinnoline);6,7-di(propan-2-yl)-3,4-dihydro-2H-chromene;tris(6,7-di(propan-2-yl)isoquinoline);6,7-di(propan-2-yl)phthalazine;6,7-di(propan-2-yl)quinazoline;tris(6,7-di(propan-2-yl)quinoline);tetrakis(6,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene);bis(6,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline) |
| SMILES | CC(C)c1cc2c(cc1C(C)C)CCCC2.CC(C)c1cc2c(cc1C(C)C)CCCC2.CC(C)c1cc2c(cc1C(C)C)CCCC2.CC(C)c1cc2c(cc1C(C)C)CCCC2.CC(C)c1cc2c(cc1C(C)C)NCCC2.CC(C)c1cc2c(cc1C(C)C)NCCC2.CC(C)c1cc2c(cc1C(C)C)OCCC2.CC(C)c1cc2cccnc2cc1C(C)C.CC(C)c1cc2cccnc2cc1C(C)C.CC(C)c1cc2cccnc2cc1C(C)C.CC(C)c1cc2ccncc2cc1C(C)C.CC(C)c1cc2ccncc2cc1C(C)C.CC(C)c1cc2ccncc2cc1C(C)C.CC(C)c1cc2ccnnc2cc1C(C)C.CC(C)c1cc2ccnnc2cc1C(C)C.CC(C)c1cc2cncnc2cc1C(C)C.CC(C)c1cc2cnncc2cc1C(C)C.CC(C)c1cc2cnnnc2cc1C(C)C |
| InChI | InChI=1S/4C16H24.3C15H19N.2C15H23N.3C15H19N.C15H22O.4C14H18N2.C13H17N3/c4*1-11(2)15-9-13-7-5-6-8-14(13)10-16(15)12(3)4;3*1-10(2)14-7-12-5-6-16-9-13(12)8-15(14)11(3)4;6*1-10(2)13-8-12-6-5-7-16-15(12)9-14(13)11(3)4;1-9(2)13-5-11-7-15-16-8-12(11)6-14(13)10(3)4;1-9(2)12-5-11-7-15-8-16-14(11)6-13(12)10(3)4;2*1-9(2)12-7-11-5-6-15-16-14(11)8-13(12)10(3)4;1-8(2)11-5-10-7-14-16-15-13(10)6-12(11)9(3)4/h4*9-12H,5-8H2,1-4H3;3*5-11H,1-4H3;2*8-11,16H,5-7H2,1-4H3;3*5-11H,1-4H3;8-11H,5-7H2,1-4H3;4*5-10H,1-4H3;5-9H,1-4H3 |
| InChIKey | FRJXZJOATRKJFG-UHFFFAOYSA-N |
| XLogP | 77.76 |
| TPSA | 252.42 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 288 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3871.02 |
| LogP ≤ 5 | 77.76 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 20 |
Frequently Asked Questions
What is the IUPAC name of 6,7-di(propan-2-yl)-1,2,3-benzotriazine;bis(6,7-di(propan-2-yl)cinnoline);6,7-di(propan-2-yl)-3,4-dihydro-2H-chromene;tris(6,7-di(propan-2-yl)isoquinoline);6,7-di(propan-2-yl)phthalazine;6,7-di(propan-2-yl)quinazoline;tris(6,7-di(propan-2-yl)quinoline);tetrakis(6,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene);bis(6,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline)?
The IUPAC name of 6,7-di(propan-2-yl)-1,2,3-benzotriazine;bis(6,7-di(propan-2-yl)cinnoline);6,7-di(propan-2-yl)-3,4-dihydro-2H-chromene;tris(6,7-di(propan-2-yl)isoquinoline);6,7-di(propan-2-yl)phthalazine;6,7-di(propan-2-yl)quinazoline;tris(6,7-di(propan-2-yl)quinoline);tetrakis(6,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene);bis(6,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline) (CID 158119194) is 6,7-di(propan-2-yl)-1,2,3-benzotriazine;bis(6,7-di(propan-2-yl)cinnoline);6,7-di(propan-2-yl)-3,4-dihydro-2H-chromene;tris(6,7-di(propan-2-yl)isoquinoline);6,7-di(propan-2-yl)phthalazine;6,7-di(propan-2-yl)quinazoline;tris(6,7-di(propan-2-yl)quinoline);tetrakis(6,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene);bis(6,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline).
What is the SMILES notation for 6,7-di(propan-2-yl)-1,2,3-benzotriazine;bis(6,7-di(propan-2-yl)cinnoline);6,7-di(propan-2-yl)-3,4-dihydro-2H-chromene;tris(6,7-di(propan-2-yl)isoquinoline);6,7-di(propan-2-yl)phthalazine;6,7-di(propan-2-yl)quinazoline;tris(6,7-di(propan-2-yl)quinoline);tetrakis(6,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene);bis(6,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline)?
The canonical SMILES for 6,7-di(propan-2-yl)-1,2,3-benzotriazine;bis(6,7-di(propan-2-yl)cinnoline);6,7-di(propan-2-yl)-3,4-dihydro-2H-chromene;tris(6,7-di(propan-2-yl)isoquinoline);6,7-di(propan-2-yl)phthalazine;6,7-di(propan-2-yl)quinazoline;tris(6,7-di(propan-2-yl)quinoline);tetrakis(6,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene);bis(6,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline) is CC(C)c1cc2c(cc1C(C)C)CCCC2.CC(C)c1cc2c(cc1C(C)C)CCCC2.CC(C)c1cc2c(cc1C(C)C)CCCC2.CC(C)c1cc2c(cc1C(C)C)CCCC2.CC(C)c1cc2c(cc1C(C)C)NCCC2.CC(C)c1cc2c(cc1C(C)C)NCCC2.CC(C)c1cc2c(cc1C(C)C)OCCC2.CC(C)c1cc2cccnc2cc1C(C)C.CC(C)c1cc2cccnc2cc1C(C)C.CC(C)c1cc2cccnc2cc1C(C)C.CC(C)c1cc2ccncc2cc1C(C)C.CC(C)c1cc2ccncc2cc1C(C)C.CC(C)c1cc2ccncc2cc1C(C)C.CC(C)c1cc2ccnnc2cc1C(C)C.CC(C)c1cc2ccnnc2cc1C(C)C.CC(C)c1cc2cncnc2cc1C(C)C.CC(C)c1cc2cnncc2cc1C(C)C.CC(C)c1cc2cnnnc2cc1C(C)C.
What is the InChIKey of 6,7-di(propan-2-yl)-1,2,3-benzotriazine;bis(6,7-di(propan-2-yl)cinnoline);6,7-di(propan-2-yl)-3,4-dihydro-2H-chromene;tris(6,7-di(propan-2-yl)isoquinoline);6,7-di(propan-2-yl)phthalazine;6,7-di(propan-2-yl)quinazoline;tris(6,7-di(propan-2-yl)quinoline);tetrakis(6,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene);bis(6,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline)?
The InChIKey is FRJXZJOATRKJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C16H24.3C15H19N.2C15H23N.3C15H19N.C15H22O.4C14H18N2.C13H17N3/c4*1-11(2)15-9-13-7-5-6-8-14(13)10-16(15)12(3)4;3*1-10(2)14-7-12-5-6-16-9-13(12)8-15(14)11(3)4;6*1-10(2)13-8-12-6-5-7-16-15(12)9-14(13)11(3)4;1-9(2)13-5-11-7-15-16-8-12(11)6-14(13)10(3)4;1-9(2)12-5-11-7-15-8-16-14(11)6-13(12)10(3)4;2*1-9(2)12-7-11-5-6-15-16-14(11)8-13(12)10(3)4;1-8(2)11-5-10-7-14-16-15-13(10)6-12(11)9(3)4/h4*9-12H,5-8H2,1-4H3;3*5-11H,1-4H3;2*8-11,16H,5-7H2,1-4H3;3*5-11H,1-4H3;8-11H,5-7H2,1-4H3;4*5-10H,1-4H3;5-9H,1-4H3.
What are the key properties of 6,7-di(propan-2-yl)-1,2,3-benzotriazine;bis(6,7-di(propan-2-yl)cinnoline);6,7-di(propan-2-yl)-3,4-dihydro-2H-chromene;tris(6,7-di(propan-2-yl)isoquinoline);6,7-di(propan-2-yl)phthalazine;6,7-di(propan-2-yl)quinazoline;tris(6,7-di(propan-2-yl)quinoline);tetrakis(6,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene);bis(6,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline)?
6,7-di(propan-2-yl)-1,2,3-benzotriazine;bis(6,7-di(propan-2-yl)cinnoline);6,7-di(propan-2-yl)-3,4-dihydro-2H-chromene;tris(6,7-di(propan-2-yl)isoquinoline);6,7-di(propan-2-yl)phthalazine;6,7-di(propan-2-yl)quinazoline;tris(6,7-di(propan-2-yl)quinoline);tetrakis(6,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene);bis(6,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline) has a molecular weight of 3871.02 g/mol, XLogP of 77.76, 36 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-di(propan-2-yl)-1,2,3-benzotriazine;bis(6,7-di(propan-2-yl)cinnoline);6,7-di(propan-2-yl)-3,4-dihydro-2H-chromene;tris(6,7-di(propan-2-yl)isoquinoline);6,7-di(propan-2-yl)phthalazine;6,7-di(propan-2-yl)quinazoline;tris(6,7-di(propan-2-yl)quinoline);tetrakis(6,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene);bis(6,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline) is sourced from PubChem (CID 158119194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158119194 — identifiers, structure, computed properties (public domain)
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