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

C29H30N2 — CID 171450326

IUPAC4-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-5,6-dihydro-3,7-phenanthroline
SMILESCC(C)c1ccc2c(n1)CCc1c-2ccnc1-c1cc(C(C)(C)C)c2ccccc2c1
InChIInChI=1S/C29H30N2/c1-18(2)26-12-10-23-22-14-15-30-28(24(22)11-13-27(23)31-26)20-16-19-8-6-7-9-21(19)25(17-20)29(3,4)5/h6-10,12,14-18H,11,13H2,1-5H3
InChIKeyXZYCGIQEBBVEFP-UHFFFAOYSA-N
MW406.57 g/mol
LogP7.48
Rot. Bonds2

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

4-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-5,6-dihydro-3,7-phenanthroline (PubChem CID 171450326) has the molecular formula C29H30N2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 4-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-5,6-dihydro-3,7-phenanthroline.

Molecular Properties

Compound Name4-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-5,6-dihydro-3,7-phenanthroline
PubChem CID171450326
Molecular FormulaC29H30N2
Molecular Weight406.57 g/mol
Exact Mass406.24
IUPAC Name4-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-5,6-dihydro-3,7-phenanthroline
SMILESCC(C)c1ccc2c(n1)CCc1c-2ccnc1-c1cc(C(C)(C)C)c2ccccc2c1
InChIInChI=1S/C29H30N2/c1-18(2)26-12-10-23-22-14-15-30-28(24(22)11-13-27(23)31-26)20-16-19-8-6-7-9-21(19)25(17-20)29(3,4)5/h6-10,12,14-18H,11,13H2,1-5H3
InChIKeyXZYCGIQEBBVEFP-UHFFFAOYSA-N
XLogP7.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-(2-methylpropyl)-4-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline
CID 171450218
7-(4-tert-butylnaphthalen-2-yl)-3-(2-methylpropyl)-5,6-dihydro-1,8-phenanthroline
CID 171450261
15-(4-tert-butylnaphthalen-2-yl)-17-oxa-6,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene
CID 171581179
4-(4-tert-butylnaphthalen-2-yl)-8-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazoline
CID 171450283
8-propan-2-yl-2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline
CID 171450405
1-(4-tert-butylnaphthalen-2-yl)-6-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)isoquinoline
CID 172542924
13-(4-tert-butylnaphthalen-2-yl)-11-oxa-6,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaene
CID 171581401
2-(4-tert-butylnaphthalen-2-yl)-8-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazoline
CID 171450274
[1-(4-tert-butylnaphthalen-2-yl)-9,9-dimethyl-[1]benzosilolo[2,3-c]pyridin-7-yl]-trimethylgermane
CID 171747954
1-(4-tert-butylnaphthalen-2-yl)-[1]benzosilolo[2,3-c]pyridine 9-oxide
CID 172528319
7-(4-tert-butylnaphthalen-2-yl)-3-pyridin-4-ylthieno[2,3-c]pyridine
CID 171581583
12-(4-tert-butylnaphthalen-2-yl)-17-oxa-4,13-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene
CID 171581504

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-5,6-dihydro-3,7-phenanthroline?
The IUPAC name of 4-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-5,6-dihydro-3,7-phenanthroline (CID 171450326) is 4-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-5,6-dihydro-3,7-phenanthroline.
What is the SMILES notation for 4-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-5,6-dihydro-3,7-phenanthroline?
The canonical SMILES for 4-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-5,6-dihydro-3,7-phenanthroline is CC(C)c1ccc2c(n1)CCc1c-2ccnc1-c1cc(C(C)(C)C)c2ccccc2c1.
What is the InChIKey of 4-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-5,6-dihydro-3,7-phenanthroline?
The InChIKey is XZYCGIQEBBVEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2/c1-18(2)26-12-10-23-22-14-15-30-28(24(22)11-13-27(23)31-26)20-16-19-8-6-7-9-21(19)25(17-20)29(3,4)5/h6-10,12,14-18H,11,13H2,1-5H3.
What are the key properties of 4-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-5,6-dihydro-3,7-phenanthroline?
4-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-5,6-dihydro-3,7-phenanthroline has a molecular weight of 406.57 g/mol, XLogP of 7.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-5,6-dihydro-3,7-phenanthroline is sourced from PubChem (CID 171450326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).