methane;bis(2-propan-2-yl-1H-indole);bis(3-propan-2-yl-1H-indole);4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole

C91H116N8 — CID 158252755

IUPACmethane;bis(2-propan-2-yl-1H-indole);bis(3-propan-2-yl-1H-indole);4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole
SMILESC.C.C.CC(C)c1c[nH]c2ccccc12.CC(C)c1c[nH]c2ccccc12.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2cc[nH]c12
InChIInChI=1S/8C11H13N.3CH4/c1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;2*1-8(2)10-7-12-11-6-4-3-5-9(10)11;2*1-8(2)11-7-9-5-3-4-6-10(9)12-11;;;/h8*3-8,12H,1-2H3;3*1H4
InChIKeyGGXLYCRWVZRFBK-UHFFFAOYSA-N
MW1321.98 g/mol
LogP28.24
Rot. Bonds8

About methane;bis(2-propan-2-yl-1H-indole);bis(3-propan-2-yl-1H-indole);4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole

methane;bis(2-propan-2-yl-1H-indole);bis(3-propan-2-yl-1H-indole);4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole (PubChem CID 158252755) has the molecular formula C91H116N8 and a molecular weight of 1321.98 g/mol. Its IUPAC name is methane;bis(2-propan-2-yl-1H-indole);bis(3-propan-2-yl-1H-indole);4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole.

Molecular Properties

Compound Namemethane;bis(2-propan-2-yl-1H-indole);bis(3-propan-2-yl-1H-indole);4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole
PubChem CID158252755
Molecular FormulaC91H116N8
Molecular Weight1321.98 g/mol
Exact Mass1320.93
IUPAC Namemethane;bis(2-propan-2-yl-1H-indole);bis(3-propan-2-yl-1H-indole);4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole
SMILESC.C.C.CC(C)c1c[nH]c2ccccc12.CC(C)c1c[nH]c2ccccc12.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2cc[nH]c12
InChIInChI=1S/8C11H13N.3CH4/c1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;2*1-8(2)10-7-12-11-6-4-3-5-9(10)11;2*1-8(2)11-7-9-5-3-4-6-10(9)12-11;;;/h8*3-8,12H,1-2H3;3*1H4
InChIKeyGGXLYCRWVZRFBK-UHFFFAOYSA-N
XLogP28.24
TPSA126.32 Ų
H-Bond Donors8
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001321.98
LogP ≤ 528.24
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of methane;bis(2-propan-2-yl-1H-indole);bis(3-propan-2-yl-1H-indole);4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole?
The IUPAC name of methane;bis(2-propan-2-yl-1H-indole);bis(3-propan-2-yl-1H-indole);4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole (CID 158252755) is methane;bis(2-propan-2-yl-1H-indole);bis(3-propan-2-yl-1H-indole);4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole.
What is the SMILES notation for methane;bis(2-propan-2-yl-1H-indole);bis(3-propan-2-yl-1H-indole);4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole?
The canonical SMILES for methane;bis(2-propan-2-yl-1H-indole);bis(3-propan-2-yl-1H-indole);4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole is C.C.C.CC(C)c1c[nH]c2ccccc12.CC(C)c1c[nH]c2ccccc12.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2cc[nH]c12.
What is the InChIKey of methane;bis(2-propan-2-yl-1H-indole);bis(3-propan-2-yl-1H-indole);4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole?
The InChIKey is GGXLYCRWVZRFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/8C11H13N.3CH4/c1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;2*1-8(2)10-7-12-11-6-4-3-5-9(10)11;2*1-8(2)11-7-9-5-3-4-6-10(9)12-11;;;/h8*3-8,12H,1-2H3;3*1H4.
What are the key properties of methane;bis(2-propan-2-yl-1H-indole);bis(3-propan-2-yl-1H-indole);4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole?
methane;bis(2-propan-2-yl-1H-indole);bis(3-propan-2-yl-1H-indole);4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole has a molecular weight of 1321.98 g/mol, XLogP of 28.24, 8 rotatable bonds, 8 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;bis(2-propan-2-yl-1H-indole);bis(3-propan-2-yl-1H-indole);4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole is sourced from PubChem (CID 158252755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).