1-tert-butyl-8-chloronaphthalene;4-tert-butyl-2-chloroquinoline;4-tert-butyl-6-chloroquinoline;2-tert-butyl-3-fluoronaphthalene;2-tert-butyl-6-fluoronaphthalene;2-tert-butyl-7-fluoronaphthalene;3-tert-butyl-8-fluoroquinoline;2-tert-butyl-1-methylnaphthalene;2-tert-butyl-3-methylnaphthalene;2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene;7-tert-butyl-1-methylnaphthalene;3-tert-butyl-8-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;2-tert-butylnaphthalene

C226H259Cl3F4N6 — CID 157305105

IUPAC1-tert-butyl-8-chloronaphthalene;4-tert-butyl-2-chloroquinoline;4-tert-butyl-6-chloroquinoline;2-tert-butyl-3-fluoronaphthalene;2-tert-butyl-6-fluoronaphthalene;2-tert-butyl-7-fluoronaphthalene;3-tert-butyl-8-fluoroquinoline;2-tert-butyl-1-methylnaphthalene;2-tert-butyl-3-methylnaphthalene;2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene;7-tert-butyl-1-methylnaphthalene;3-tert-butyl-8-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;2-tert-butylnaphthalene
SMILESCC(C)(C)c1cc(Cl)nc2ccccc12.CC(C)(C)c1cc2ccccc2cc1F.CC(C)(C)c1ccc2cc(F)ccc2c1.CC(C)(C)c1ccc2ccc(F)cc2c1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc2cccc(Cl)c12.CC(C)(C)c1ccnc2ccc(Cl)cc12.CC(C)(C)c1cnc2c(F)cccc2c1.Cc1c(C(C)(C)C)ccc2ccccc12.Cc1cc2ccccc2cc1C(C)(C)C.Cc1ccc2c(C(C)(C)C)ccnc2c1.Cc1ccc2cc(C(C)(C)C)ccc2c1.Cc1ccc2ccc(C(C)(C)C)cc2c1.Cc1cccc2c(C(C)(C)C)ccnc12.Cc1cccc2cc(C(C)(C)C)cnc12.Cc1cccc2ccc(C(C)(C)C)cc12
InChIInChI=1S/5C15H18.C14H15Cl.3C14H15F.3C14H17N.C14H16.2C13H14ClN.C13H14FN/c1-11-5-6-13-10-14(15(2,3)4)8-7-12(13)9-11;1-11-5-6-12-7-8-14(15(2,3)4)10-13(12)9-11;1-11-6-5-7-12-8-9-13(10-14(11)12)15(2,3)4;1-11-9-12-7-5-6-8-13(12)10-14(11)15(2,3)4;1-11-13-8-6-5-7-12(13)9-10-14(11)15(2,3)4;1-14(2,3)11-8-4-6-10-7-5-9-12(15)13(10)11;1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12;1-14(2,3)12-6-4-10-5-7-13(15)9-11(10)8-12;1-14(2,3)12-8-10-6-4-5-7-11(10)9-13(12)15;1-10-5-6-11-12(14(2,3)4)7-8-15-13(11)9-10;1-10-6-5-7-11-8-12(14(2,3)4)9-15-13(10)11;1-10-6-5-7-11-12(14(2,3)4)8-9-15-13(10)11;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-6-7-15-12-5-4-9(14)8-10(11)12;1-13(2,3)10-8-12(14)15-11-7-5-4-6-9(10)11;1-13(2,3)10-7-9-5-4-6-11(14)12(9)15-8-10/h5*5-10H,1-4H3;4*4-9H,1-3H3;3*5-9H,1-4H3;4-10H,1-3H3;3*4-8H,1-3H3
InChIKeyBCJGZGSWOLXFFX-UHFFFAOYSA-N
MW3241.95 g/mol
LogP67.55
Rot. Bonds

About 1-tert-butyl-8-chloronaphthalene;4-tert-butyl-2-chloroquinoline;4-tert-butyl-6-chloroquinoline;2-tert-butyl-3-fluoronaphthalene;2-tert-butyl-6-fluoronaphthalene;2-tert-butyl-7-fluoronaphthalene;3-tert-butyl-8-fluoroquinoline;2-tert-butyl-1-methylnaphthalene;2-tert-butyl-3-methylnaphthalene;2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene;7-tert-butyl-1-methylnaphthalene;3-tert-butyl-8-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;2-tert-butylnaphthalene

1-tert-butyl-8-chloronaphthalene;4-tert-butyl-2-chloroquinoline;4-tert-butyl-6-chloroquinoline;2-tert-butyl-3-fluoronaphthalene;2-tert-butyl-6-fluoronaphthalene;2-tert-butyl-7-fluoronaphthalene;3-tert-butyl-8-fluoroquinoline;2-tert-butyl-1-methylnaphthalene;2-tert-butyl-3-methylnaphthalene;2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene;7-tert-butyl-1-methylnaphthalene;3-tert-butyl-8-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;2-tert-butylnaphthalene (PubChem CID 157305105) has the molecular formula C226H259Cl3F4N6 and a molecular weight of 3241.95 g/mol. Its IUPAC name is 1-tert-butyl-8-chloronaphthalene;4-tert-butyl-2-chloroquinoline;4-tert-butyl-6-chloroquinoline;2-tert-butyl-3-fluoronaphthalene;2-tert-butyl-6-fluoronaphthalene;2-tert-butyl-7-fluoronaphthalene;3-tert-butyl-8-fluoroquinoline;2-tert-butyl-1-methylnaphthalene;2-tert-butyl-3-methylnaphthalene;2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene;7-tert-butyl-1-methylnaphthalene;3-tert-butyl-8-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;2-tert-butylnaphthalene.

Molecular Properties

Compound Name1-tert-butyl-8-chloronaphthalene;4-tert-butyl-2-chloroquinoline;4-tert-butyl-6-chloroquinoline;2-tert-butyl-3-fluoronaphthalene;2-tert-butyl-6-fluoronaphthalene;2-tert-butyl-7-fluoronaphthalene;3-tert-butyl-8-fluoroquinoline;2-tert-butyl-1-methylnaphthalene;2-tert-butyl-3-methylnaphthalene;2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene;7-tert-butyl-1-methylnaphthalene;3-tert-butyl-8-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;2-tert-butylnaphthalene
PubChem CID157305105
Molecular FormulaC226H259Cl3F4N6
Molecular Weight3241.95 g/mol
Exact Mass3237.95
IUPAC Name1-tert-butyl-8-chloronaphthalene;4-tert-butyl-2-chloroquinoline;4-tert-butyl-6-chloroquinoline;2-tert-butyl-3-fluoronaphthalene;2-tert-butyl-6-fluoronaphthalene;2-tert-butyl-7-fluoronaphthalene;3-tert-butyl-8-fluoroquinoline;2-tert-butyl-1-methylnaphthalene;2-tert-butyl-3-methylnaphthalene;2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene;7-tert-butyl-1-methylnaphthalene;3-tert-butyl-8-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;2-tert-butylnaphthalene
SMILESCC(C)(C)c1cc(Cl)nc2ccccc12.CC(C)(C)c1cc2ccccc2cc1F.CC(C)(C)c1ccc2cc(F)ccc2c1.CC(C)(C)c1ccc2ccc(F)cc2c1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc2cccc(Cl)c12.CC(C)(C)c1ccnc2ccc(Cl)cc12.CC(C)(C)c1cnc2c(F)cccc2c1.Cc1c(C(C)(C)C)ccc2ccccc12.Cc1cc2ccccc2cc1C(C)(C)C.Cc1ccc2c(C(C)(C)C)ccnc2c1.Cc1ccc2cc(C(C)(C)C)ccc2c1.Cc1ccc2ccc(C(C)(C)C)cc2c1.Cc1cccc2c(C(C)(C)C)ccnc12.Cc1cccc2cc(C(C)(C)C)cnc12.Cc1cccc2ccc(C(C)(C)C)cc12
InChIInChI=1S/5C15H18.C14H15Cl.3C14H15F.3C14H17N.C14H16.2C13H14ClN.C13H14FN/c1-11-5-6-13-10-14(15(2,3)4)8-7-12(13)9-11;1-11-5-6-12-7-8-14(15(2,3)4)10-13(12)9-11;1-11-6-5-7-12-8-9-13(10-14(11)12)15(2,3)4;1-11-9-12-7-5-6-8-13(12)10-14(11)15(2,3)4;1-11-13-8-6-5-7-12(13)9-10-14(11)15(2,3)4;1-14(2,3)11-8-4-6-10-7-5-9-12(15)13(10)11;1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12;1-14(2,3)12-6-4-10-5-7-13(15)9-11(10)8-12;1-14(2,3)12-8-10-6-4-5-7-11(10)9-13(12)15;1-10-5-6-11-12(14(2,3)4)7-8-15-13(11)9-10;1-10-6-5-7-11-8-12(14(2,3)4)9-15-13(10)11;1-10-6-5-7-11-12(14(2,3)4)8-9-15-13(10)11;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-6-7-15-12-5-4-9(14)8-10(11)12;1-13(2,3)10-8-12(14)15-11-7-5-4-6-9(10)11;1-13(2,3)10-7-9-5-4-6-11(14)12(9)15-8-10/h5*5-10H,1-4H3;4*4-9H,1-3H3;3*5-9H,1-4H3;4-10H,1-3H3;3*4-8H,1-3H3
InChIKeyBCJGZGSWOLXFFX-UHFFFAOYSA-N
XLogP67.55
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms239
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003241.95
LogP ≤ 567.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-tert-butyl-8-chloronaphthalene;4-tert-butyl-2-chloroquinoline;4-tert-butyl-6-chloroquinoline;2-tert-butyl-3-fluoronaphthalene;2-tert-butyl-6-fluoronaphthalene;2-tert-butyl-7-fluoronaphthalene;3-tert-butyl-8-fluoroquinoline;2-tert-butyl-1-methylnaphthalene;2-tert-butyl-3-methylnaphthalene;2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene;7-tert-butyl-1-methylnaphthalene;3-tert-butyl-8-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;2-tert-butylnaphthalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-8-chloronaphthalene;4-tert-butyl-2-chloroquinoline;4-tert-butyl-6-chloroquinoline;2-tert-butyl-3-fluoronaphthalene;2-tert-butyl-6-fluoronaphthalene;2-tert-butyl-7-fluoronaphthalene;3-tert-butyl-8-fluoroquinoline;2-tert-butyl-1-methylnaphthalene;2-tert-butyl-3-methylnaphthalene;2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene;7-tert-butyl-1-methylnaphthalene;3-tert-butyl-8-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;2-tert-butylnaphthalene?
The IUPAC name of 1-tert-butyl-8-chloronaphthalene;4-tert-butyl-2-chloroquinoline;4-tert-butyl-6-chloroquinoline;2-tert-butyl-3-fluoronaphthalene;2-tert-butyl-6-fluoronaphthalene;2-tert-butyl-7-fluoronaphthalene;3-tert-butyl-8-fluoroquinoline;2-tert-butyl-1-methylnaphthalene;2-tert-butyl-3-methylnaphthalene;2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene;7-tert-butyl-1-methylnaphthalene;3-tert-butyl-8-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;2-tert-butylnaphthalene (CID 157305105) is 1-tert-butyl-8-chloronaphthalene;4-tert-butyl-2-chloroquinoline;4-tert-butyl-6-chloroquinoline;2-tert-butyl-3-fluoronaphthalene;2-tert-butyl-6-fluoronaphthalene;2-tert-butyl-7-fluoronaphthalene;3-tert-butyl-8-fluoroquinoline;2-tert-butyl-1-methylnaphthalene;2-tert-butyl-3-methylnaphthalene;2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene;7-tert-butyl-1-methylnaphthalene;3-tert-butyl-8-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;2-tert-butylnaphthalene.
What is the SMILES notation for 1-tert-butyl-8-chloronaphthalene;4-tert-butyl-2-chloroquinoline;4-tert-butyl-6-chloroquinoline;2-tert-butyl-3-fluoronaphthalene;2-tert-butyl-6-fluoronaphthalene;2-tert-butyl-7-fluoronaphthalene;3-tert-butyl-8-fluoroquinoline;2-tert-butyl-1-methylnaphthalene;2-tert-butyl-3-methylnaphthalene;2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene;7-tert-butyl-1-methylnaphthalene;3-tert-butyl-8-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;2-tert-butylnaphthalene?
The canonical SMILES for 1-tert-butyl-8-chloronaphthalene;4-tert-butyl-2-chloroquinoline;4-tert-butyl-6-chloroquinoline;2-tert-butyl-3-fluoronaphthalene;2-tert-butyl-6-fluoronaphthalene;2-tert-butyl-7-fluoronaphthalene;3-tert-butyl-8-fluoroquinoline;2-tert-butyl-1-methylnaphthalene;2-tert-butyl-3-methylnaphthalene;2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene;7-tert-butyl-1-methylnaphthalene;3-tert-butyl-8-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;2-tert-butylnaphthalene is CC(C)(C)c1cc(Cl)nc2ccccc12.CC(C)(C)c1cc2ccccc2cc1F.CC(C)(C)c1ccc2cc(F)ccc2c1.CC(C)(C)c1ccc2ccc(F)cc2c1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc2cccc(Cl)c12.CC(C)(C)c1ccnc2ccc(Cl)cc12.CC(C)(C)c1cnc2c(F)cccc2c1.Cc1c(C(C)(C)C)ccc2ccccc12.Cc1cc2ccccc2cc1C(C)(C)C.Cc1ccc2c(C(C)(C)C)ccnc2c1.Cc1ccc2cc(C(C)(C)C)ccc2c1.Cc1ccc2ccc(C(C)(C)C)cc2c1.Cc1cccc2c(C(C)(C)C)ccnc12.Cc1cccc2cc(C(C)(C)C)cnc12.Cc1cccc2ccc(C(C)(C)C)cc12.
What is the InChIKey of 1-tert-butyl-8-chloronaphthalene;4-tert-butyl-2-chloroquinoline;4-tert-butyl-6-chloroquinoline;2-tert-butyl-3-fluoronaphthalene;2-tert-butyl-6-fluoronaphthalene;2-tert-butyl-7-fluoronaphthalene;3-tert-butyl-8-fluoroquinoline;2-tert-butyl-1-methylnaphthalene;2-tert-butyl-3-methylnaphthalene;2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene;7-tert-butyl-1-methylnaphthalene;3-tert-butyl-8-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;2-tert-butylnaphthalene?
The InChIKey is BCJGZGSWOLXFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/5C15H18.C14H15Cl.3C14H15F.3C14H17N.C14H16.2C13H14ClN.C13H14FN/c1-11-5-6-13-10-14(15(2,3)4)8-7-12(13)9-11;1-11-5-6-12-7-8-14(15(2,3)4)10-13(12)9-11;1-11-6-5-7-12-8-9-13(10-14(11)12)15(2,3)4;1-11-9-12-7-5-6-8-13(12)10-14(11)15(2,3)4;1-11-13-8-6-5-7-12(13)9-10-14(11)15(2,3)4;1-14(2,3)11-8-4-6-10-7-5-9-12(15)13(10)11;1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12;1-14(2,3)12-6-4-10-5-7-13(15)9-11(10)8-12;1-14(2,3)12-8-10-6-4-5-7-11(10)9-13(12)15;1-10-5-6-11-12(14(2,3)4)7-8-15-13(11)9-10;1-10-6-5-7-11-8-12(14(2,3)4)9-15-13(10)11;1-10-6-5-7-11-12(14(2,3)4)8-9-15-13(10)11;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-6-7-15-12-5-4-9(14)8-10(11)12;1-13(2,3)10-8-12(14)15-11-7-5-4-6-9(10)11;1-13(2,3)10-7-9-5-4-6-11(14)12(9)15-8-10/h5*5-10H,1-4H3;4*4-9H,1-3H3;3*5-9H,1-4H3;4-10H,1-3H3;3*4-8H,1-3H3.
What are the key properties of 1-tert-butyl-8-chloronaphthalene;4-tert-butyl-2-chloroquinoline;4-tert-butyl-6-chloroquinoline;2-tert-butyl-3-fluoronaphthalene;2-tert-butyl-6-fluoronaphthalene;2-tert-butyl-7-fluoronaphthalene;3-tert-butyl-8-fluoroquinoline;2-tert-butyl-1-methylnaphthalene;2-tert-butyl-3-methylnaphthalene;2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene;7-tert-butyl-1-methylnaphthalene;3-tert-butyl-8-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;2-tert-butylnaphthalene?
1-tert-butyl-8-chloronaphthalene;4-tert-butyl-2-chloroquinoline;4-tert-butyl-6-chloroquinoline;2-tert-butyl-3-fluoronaphthalene;2-tert-butyl-6-fluoronaphthalene;2-tert-butyl-7-fluoronaphthalene;3-tert-butyl-8-fluoroquinoline;2-tert-butyl-1-methylnaphthalene;2-tert-butyl-3-methylnaphthalene;2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene;7-tert-butyl-1-methylnaphthalene;3-tert-butyl-8-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;2-tert-butylnaphthalene has a molecular weight of 3241.95 g/mol, XLogP of 67.55, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-8-chloronaphthalene;4-tert-butyl-2-chloroquinoline;4-tert-butyl-6-chloroquinoline;2-tert-butyl-3-fluoronaphthalene;2-tert-butyl-6-fluoronaphthalene;2-tert-butyl-7-fluoronaphthalene;3-tert-butyl-8-fluoroquinoline;2-tert-butyl-1-methylnaphthalene;2-tert-butyl-3-methylnaphthalene;2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene;7-tert-butyl-1-methylnaphthalene;3-tert-butyl-8-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;2-tert-butylnaphthalene is sourced from PubChem (CID 157305105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).