ethane;isoquinoline;hexakis(2-methylpropane);2-methyl-1-propan-2-ylisoindole;naphthalene;quinazoline;quinoline

C104H159N7 — CID 160955429

IUPACethane;isoquinoline;hexakis(2-methylpropane);2-methyl-1-propan-2-ylisoindole;naphthalene;quinazoline;quinoline
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1c2ccccc2cn1C.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncncc2c1
InChIInChI=1S/C12H15N.C10H8.4C9H7N.C8H6N2.6C4H10.7C2H6/c1-9(2)12-11-7-5-4-6-10(11)8-13(12)3;1-2-6-10-8-4-3-7-9(10)5-1;3*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)5-9-6-10-8;6*1-4(2)3;7*1-2/h4-9H,1-3H3;1-8H;4*1-7H;1-6H;6*4H,1-3H3;7*1-2H3
InChIKeySWHZQAMUMIAOPR-UHFFFAOYSA-N
MW1507.46 g/mol
LogP33.87
Rot. Bonds1

About ethane;isoquinoline;hexakis(2-methylpropane);2-methyl-1-propan-2-ylisoindole;naphthalene;quinazoline;quinoline

ethane;isoquinoline;hexakis(2-methylpropane);2-methyl-1-propan-2-ylisoindole;naphthalene;quinazoline;quinoline (PubChem CID 160955429) has the molecular formula C104H159N7 and a molecular weight of 1507.46 g/mol. Its IUPAC name is ethane;isoquinoline;hexakis(2-methylpropane);2-methyl-1-propan-2-ylisoindole;naphthalene;quinazoline;quinoline.

Molecular Properties

Compound Nameethane;isoquinoline;hexakis(2-methylpropane);2-methyl-1-propan-2-ylisoindole;naphthalene;quinazoline;quinoline
PubChem CID160955429
Molecular FormulaC104H159N7
Molecular Weight1507.46 g/mol
Exact Mass1506.27
IUPAC Nameethane;isoquinoline;hexakis(2-methylpropane);2-methyl-1-propan-2-ylisoindole;naphthalene;quinazoline;quinoline
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1c2ccccc2cn1C.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncncc2c1
InChIInChI=1S/C12H15N.C10H8.4C9H7N.C8H6N2.6C4H10.7C2H6/c1-9(2)12-11-7-5-4-6-10(11)8-13(12)3;1-2-6-10-8-4-3-7-9(10)5-1;3*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)5-9-6-10-8;6*1-4(2)3;7*1-2/h4-9H,1-3H3;1-8H;4*1-7H;1-6H;6*4H,1-3H3;7*1-2H3
InChIKeySWHZQAMUMIAOPR-UHFFFAOYSA-N
XLogP33.87
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001507.46
LogP ≤ 533.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethane;isoquinoline;hexakis(2-methylpropane);2-methyl-1-propan-2-ylisoindole;naphthalene;quinazoline;quinoline?
The IUPAC name of ethane;isoquinoline;hexakis(2-methylpropane);2-methyl-1-propan-2-ylisoindole;naphthalene;quinazoline;quinoline (CID 160955429) is ethane;isoquinoline;hexakis(2-methylpropane);2-methyl-1-propan-2-ylisoindole;naphthalene;quinazoline;quinoline.
What is the SMILES notation for ethane;isoquinoline;hexakis(2-methylpropane);2-methyl-1-propan-2-ylisoindole;naphthalene;quinazoline;quinoline?
The canonical SMILES for ethane;isoquinoline;hexakis(2-methylpropane);2-methyl-1-propan-2-ylisoindole;naphthalene;quinazoline;quinoline is CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1c2ccccc2cn1C.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncncc2c1.
What is the InChIKey of ethane;isoquinoline;hexakis(2-methylpropane);2-methyl-1-propan-2-ylisoindole;naphthalene;quinazoline;quinoline?
The InChIKey is SWHZQAMUMIAOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C10H8.4C9H7N.C8H6N2.6C4H10.7C2H6/c1-9(2)12-11-7-5-4-6-10(11)8-13(12)3;1-2-6-10-8-4-3-7-9(10)5-1;3*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)5-9-6-10-8;6*1-4(2)3;7*1-2/h4-9H,1-3H3;1-8H;4*1-7H;1-6H;6*4H,1-3H3;7*1-2H3.
What are the key properties of ethane;isoquinoline;hexakis(2-methylpropane);2-methyl-1-propan-2-ylisoindole;naphthalene;quinazoline;quinoline?
ethane;isoquinoline;hexakis(2-methylpropane);2-methyl-1-propan-2-ylisoindole;naphthalene;quinazoline;quinoline has a molecular weight of 1507.46 g/mol, XLogP of 33.87, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;isoquinoline;hexakis(2-methylpropane);2-methyl-1-propan-2-ylisoindole;naphthalene;quinazoline;quinoline is sourced from PubChem (CID 160955429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).