10-cyclodecyl-4-cycloheptyl-2,3,4,7,8,9-hexahydro-1H-1,10-phenanthroline

C29H46N2 — CID 166676620

IUPAC10-cyclodecyl-4-cycloheptyl-2,3,4,7,8,9-hexahydro-1H-1,10-phenanthroline
SMILESc1cc2c(c3c1CCCN3C1CCCCCCCCC1)NCCC2C1CCCCCC1
InChIInChI=1S/C29H46N2/c1-2-4-10-16-25(17-11-5-3-1)31-22-12-15-24-18-19-27-26(20-21-30-28(27)29(24)31)23-13-8-6-7-9-14-23/h18-19,23,25-26,30H,1-17,20-22H2
InChIKeyUIRSUMZXGCUTEN-UHFFFAOYSA-N
MW422.70 g/mol
LogP8.20
Rot. Bonds2

About 10-cyclodecyl-4-cycloheptyl-2,3,4,7,8,9-hexahydro-1H-1,10-phenanthroline

10-cyclodecyl-4-cycloheptyl-2,3,4,7,8,9-hexahydro-1H-1,10-phenanthroline (PubChem CID 166676620) has the molecular formula C29H46N2 and a molecular weight of 422.70 g/mol. Its IUPAC name is 10-cyclodecyl-4-cycloheptyl-2,3,4,7,8,9-hexahydro-1H-1,10-phenanthroline.

Molecular Properties

Compound Name10-cyclodecyl-4-cycloheptyl-2,3,4,7,8,9-hexahydro-1H-1,10-phenanthroline
PubChem CID166676620
Molecular FormulaC29H46N2
Molecular Weight422.70 g/mol
Exact Mass422.37
IUPAC Name10-cyclodecyl-4-cycloheptyl-2,3,4,7,8,9-hexahydro-1H-1,10-phenanthroline
SMILESc1cc2c(c3c1CCCN3C1CCCCCCCCC1)NCCC2C1CCCCCC1
InChIInChI=1S/C29H46N2/c1-2-4-10-16-25(17-11-5-3-1)31-22-12-15-24-18-19-27-26(20-21-30-28(27)29(24)31)23-13-8-6-7-9-14-23/h18-19,23,25-26,30H,1-17,20-22H2
InChIKeyUIRSUMZXGCUTEN-UHFFFAOYSA-N
XLogP8.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.70
LogP ≤ 58.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-cyclodecyl-4-cycloheptyl-2,3,4,7,8,9-hexahydro-1H-1,10-phenanthroline?
The IUPAC name of 10-cyclodecyl-4-cycloheptyl-2,3,4,7,8,9-hexahydro-1H-1,10-phenanthroline (CID 166676620) is 10-cyclodecyl-4-cycloheptyl-2,3,4,7,8,9-hexahydro-1H-1,10-phenanthroline.
What is the SMILES notation for 10-cyclodecyl-4-cycloheptyl-2,3,4,7,8,9-hexahydro-1H-1,10-phenanthroline?
The canonical SMILES for 10-cyclodecyl-4-cycloheptyl-2,3,4,7,8,9-hexahydro-1H-1,10-phenanthroline is c1cc2c(c3c1CCCN3C1CCCCCCCCC1)NCCC2C1CCCCCC1.
What is the InChIKey of 10-cyclodecyl-4-cycloheptyl-2,3,4,7,8,9-hexahydro-1H-1,10-phenanthroline?
The InChIKey is UIRSUMZXGCUTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H46N2/c1-2-4-10-16-25(17-11-5-3-1)31-22-12-15-24-18-19-27-26(20-21-30-28(27)29(24)31)23-13-8-6-7-9-14-23/h18-19,23,25-26,30H,1-17,20-22H2.
What are the key properties of 10-cyclodecyl-4-cycloheptyl-2,3,4,7,8,9-hexahydro-1H-1,10-phenanthroline?
10-cyclodecyl-4-cycloheptyl-2,3,4,7,8,9-hexahydro-1H-1,10-phenanthroline has a molecular weight of 422.70 g/mol, XLogP of 8.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclodecyl-4-cycloheptyl-2,3,4,7,8,9-hexahydro-1H-1,10-phenanthroline is sourced from PubChem (CID 166676620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).