8-propan-2-yl-2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline

C28H28N2 — CID 171450405

IUPAC8-propan-2-yl-2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline
SMILESCC(C)c1ccc2c(n1)CCc1cnc(-c3cc(C(C)C)c4ccccc4c3)cc1-2
InChIInChI=1S/C28H28N2/c1-17(2)24-14-21(13-19-7-5-6-8-22(19)24)28-15-25-20(16-29-28)9-11-27-23(25)10-12-26(30-27)18(3)4/h5-8,10,12-18H,9,11H2,1-4H3
InChIKeyMRFPNTSLRIBKLA-UHFFFAOYSA-N
MW392.55 g/mol
LogP7.31
Rot. Bonds3

About 8-propan-2-yl-2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline

8-propan-2-yl-2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline (PubChem CID 171450405) has the molecular formula C28H28N2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 8-propan-2-yl-2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline.

Molecular Properties

Compound Name8-propan-2-yl-2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline
PubChem CID171450405
Molecular FormulaC28H28N2
Molecular Weight392.55 g/mol
Exact Mass392.23
IUPAC Name8-propan-2-yl-2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline
SMILESCC(C)c1ccc2c(n1)CCc1cnc(-c3cc(C(C)C)c4ccccc4c3)cc1-2
InChIInChI=1S/C28H28N2/c1-17(2)24-14-21(13-19-7-5-6-8-22(19)24)28-15-25-20(16-29-28)9-11-27-23(25)10-12-26(30-27)18(3)4/h5-8,10,12-18H,9,11H2,1-4H3
InChIKeyMRFPNTSLRIBKLA-UHFFFAOYSA-N
XLogP7.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline
CID 171450161
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;8-propan-2-yl-2-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-5,6-dihydro-3,7-phenanthroline
CID 171450425
trimethyl-[5-methyl-2-(4-propan-2-ylnaphthalen-2-yl)-4-pyridinyl]silane
CID 177122701
4-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-5,6-dihydro-3,7-phenanthroline
CID 171450326
8-(2-methylpropyl)-4-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline
CID 171450218
trimethyl-[[5-methyl-2-(4-propan-2-ylnaphthalen-2-yl)-4-pyridinyl]methyl]germane
CID 177122703
[3-(5,6-dihydrobenzo[f]quinolin-3-yl)naphthalen-1-yl]-trimethylsilane
CID 177070409
[3-fluoro-4-[2-(4-propan-2-ylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]-trimethylgermane
CID 171764482
trimethyl-[3-methyl-4-[2-(4-propan-2-ylnaphthalen-2-yl)-4-pyridinyl]phenyl]germane
CID 171764430
2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-propan-2-yl-5,6-dihydro-3,7-phenanthroline;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 171450472
6-propan-2-ylbenzo[a]anthracene
CID 90474215
5,5-dimethyl-1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzogermolo[3,2-c]pyridine
CID 172528387

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline?
The IUPAC name of 8-propan-2-yl-2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline (CID 171450405) is 8-propan-2-yl-2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline.
What is the SMILES notation for 8-propan-2-yl-2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline?
The canonical SMILES for 8-propan-2-yl-2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline is CC(C)c1ccc2c(n1)CCc1cnc(-c3cc(C(C)C)c4ccccc4c3)cc1-2.
What is the InChIKey of 8-propan-2-yl-2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline?
The InChIKey is MRFPNTSLRIBKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2/c1-17(2)24-14-21(13-19-7-5-6-8-22(19)24)28-15-25-20(16-29-28)9-11-27-23(25)10-12-26(30-27)18(3)4/h5-8,10,12-18H,9,11H2,1-4H3.
What are the key properties of 8-propan-2-yl-2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline?
8-propan-2-yl-2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline has a molecular weight of 392.55 g/mol, XLogP of 7.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline is sourced from PubChem (CID 171450405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).