7-(4-tert-butylnaphthalen-2-yl)-3-(2-methylpropyl)-5,6-dihydro-1,8-phenanthroline

C30H32N2 — CID 171450261

IUPAC7-(4-tert-butylnaphthalen-2-yl)-3-(2-methylpropyl)-5,6-dihydro-1,8-phenanthroline
SMILESCC(C)Cc1cnc2c(c1)CCc1c-2ccnc1-c1cc(C(C)(C)C)c2ccccc2c1
InChIInChI=1S/C30H32N2/c1-19(2)14-20-15-22-10-11-25-26(28(22)32-18-20)12-13-31-29(25)23-16-21-8-6-7-9-24(21)27(17-23)30(3,4)5/h6-9,12-13,15-19H,10-11,14H2,1-5H3
InChIKeyLHORLQVPVMCUKV-UHFFFAOYSA-N
MW420.60 g/mol
LogP7.56
Rot. Bonds3

About 7-(4-tert-butylnaphthalen-2-yl)-3-(2-methylpropyl)-5,6-dihydro-1,8-phenanthroline

7-(4-tert-butylnaphthalen-2-yl)-3-(2-methylpropyl)-5,6-dihydro-1,8-phenanthroline (PubChem CID 171450261) has the molecular formula C30H32N2 and a molecular weight of 420.60 g/mol. Its IUPAC name is 7-(4-tert-butylnaphthalen-2-yl)-3-(2-methylpropyl)-5,6-dihydro-1,8-phenanthroline.

Molecular Properties

Compound Name7-(4-tert-butylnaphthalen-2-yl)-3-(2-methylpropyl)-5,6-dihydro-1,8-phenanthroline
PubChem CID171450261
Molecular FormulaC30H32N2
Molecular Weight420.60 g/mol
Exact Mass420.26
IUPAC Name7-(4-tert-butylnaphthalen-2-yl)-3-(2-methylpropyl)-5,6-dihydro-1,8-phenanthroline
SMILESCC(C)Cc1cnc2c(c1)CCc1c-2ccnc1-c1cc(C(C)(C)C)c2ccccc2c1
InChIInChI=1S/C30H32N2/c1-19(2)14-20-15-22-10-11-25-26(28(22)32-18-20)12-13-31-29(25)23-16-21-8-6-7-9-24(21)27(17-23)30(3,4)5/h6-9,12-13,15-19H,10-11,14H2,1-5H3
InChIKeyLHORLQVPVMCUKV-UHFFFAOYSA-N
XLogP7.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-tert-butylnaphthalen-2-yl)-8-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazoline
CID 171450283
2-(4-tert-butylnaphthalen-2-yl)-8-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazoline
CID 171450274
4-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-5,6-dihydro-3,7-phenanthroline
CID 171450326
12-(4-tert-butylnaphthalen-2-yl)-4-(2-methylpropyl)-17-thia-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11,13,15-heptaene
CID 171581349
15-(4-tert-butylnaphthalen-2-yl)-4-(2-methylpropyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene
CID 154599278
1-(4-tert-butylnaphthalen-2-yl)-7-(2-methylpropyl)-[1]benzofuro[2,3-c]pyridine
CID 154599340
2-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]-5-(2-methylpropyl)thieno[2,3-b]pyridine
CID 171742112
2-(4-tert-butylnaphthalen-2-yl)-4-[5-(2-methylpropyl)-1-benzothiophen-2-yl]pyridine
CID 171741518
1-(4-tert-butylnaphthalen-2-yl)-6-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)isoquinoline
CID 172542924
6-(4-tert-butylnaphthalen-2-yl)-16,16-dimethyl-13-(2-methylpropyl)-8-thia-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),3,5,10(15),11,13-heptaene
CID 170545620
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
7-(4-tert-butylnaphthalen-2-yl)-2-[3,4-dimethyl-5-[4-(2-methylpropyl)phenyl]thiophen-2-yl]-3-methylthieno[2,3-c]pyridine
CID 163863699

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-3-(2-methylpropyl)-5,6-dihydro-1,8-phenanthroline?
The IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-3-(2-methylpropyl)-5,6-dihydro-1,8-phenanthroline (CID 171450261) is 7-(4-tert-butylnaphthalen-2-yl)-3-(2-methylpropyl)-5,6-dihydro-1,8-phenanthroline.
What is the SMILES notation for 7-(4-tert-butylnaphthalen-2-yl)-3-(2-methylpropyl)-5,6-dihydro-1,8-phenanthroline?
The canonical SMILES for 7-(4-tert-butylnaphthalen-2-yl)-3-(2-methylpropyl)-5,6-dihydro-1,8-phenanthroline is CC(C)Cc1cnc2c(c1)CCc1c-2ccnc1-c1cc(C(C)(C)C)c2ccccc2c1.
What is the InChIKey of 7-(4-tert-butylnaphthalen-2-yl)-3-(2-methylpropyl)-5,6-dihydro-1,8-phenanthroline?
The InChIKey is LHORLQVPVMCUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2/c1-19(2)14-20-15-22-10-11-25-26(28(22)32-18-20)12-13-31-29(25)23-16-21-8-6-7-9-24(21)27(17-23)30(3,4)5/h6-9,12-13,15-19H,10-11,14H2,1-5H3.
What are the key properties of 7-(4-tert-butylnaphthalen-2-yl)-3-(2-methylpropyl)-5,6-dihydro-1,8-phenanthroline?
7-(4-tert-butylnaphthalen-2-yl)-3-(2-methylpropyl)-5,6-dihydro-1,8-phenanthroline has a molecular weight of 420.60 g/mol, XLogP of 7.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-tert-butylnaphthalen-2-yl)-3-(2-methylpropyl)-5,6-dihydro-1,8-phenanthroline is sourced from PubChem (CID 171450261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).