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

C25H22N2 — CID 171450161

IUPAC2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline
SMILESCC(C)c1cc(-c2cc3c(cn2)CCc2ncccc2-3)cc2ccccc12
InChIInChI=1S/C25H22N2/c1-16(2)22-13-19(12-17-6-3-4-7-20(17)22)25-14-23-18(15-27-25)9-10-24-21(23)8-5-11-26-24/h3-8,11-16H,9-10H2,1-2H3
InChIKeyCRWKCMROYNAHCX-UHFFFAOYSA-N
MW350.47 g/mol
LogP6.19
Rot. Bonds2

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

2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline (PubChem CID 171450161) has the molecular formula C25H22N2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline.

Molecular Properties

Compound Name2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline
PubChem CID171450161
Molecular FormulaC25H22N2
Molecular Weight350.47 g/mol
Exact Mass350.18
IUPAC Name2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline
SMILESCC(C)c1cc(-c2cc3c(cn2)CCc2ncccc2-3)cc2ccccc12
InChIInChI=1S/C25H22N2/c1-16(2)22-13-19(12-17-6-3-4-7-20(17)22)25-14-23-18(15-27-25)9-10-24-21(23)8-5-11-26-24/h3-8,11-16H,9-10H2,1-2H3
InChIKeyCRWKCMROYNAHCX-UHFFFAOYSA-N
XLogP6.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-propan-2-yl-2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline
CID 171450405
trimethyl-[5-methyl-2-(4-propan-2-ylnaphthalen-2-yl)-4-pyridinyl]silane
CID 177122701
trimethyl-[[5-methyl-2-(4-propan-2-ylnaphthalen-2-yl)-4-pyridinyl]methyl]germane
CID 177122703
8-(2-methylpropyl)-4-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline
CID 171450218
5,5-dimethyl-1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzogermolo[3,2-c]pyridine
CID 172528387
trimethyl-[3-methyl-4-[2-(4-propan-2-ylnaphthalen-2-yl)-4-pyridinyl]phenyl]germane
CID 171764430
[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
6-propan-2-ylbenzo[a]anthracene
CID 90474215
1-propan-2-yl-6-(8-propan-2-ylisoquinolin-3-yl)isoquinoline
CID 129049108
[difluoro-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]methyl]-trimethylsilane
CID 170533908
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline?
The IUPAC name of 2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline (CID 171450161) is 2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline.
What is the SMILES notation for 2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline?
The canonical SMILES for 2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline is CC(C)c1cc(-c2cc3c(cn2)CCc2ncccc2-3)cc2ccccc12.
What is the InChIKey of 2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline?
The InChIKey is CRWKCMROYNAHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2/c1-16(2)22-13-19(12-17-6-3-4-7-20(17)22)25-14-23-18(15-27-25)9-10-24-21(23)8-5-11-26-24/h3-8,11-16H,9-10H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline?
2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline has a molecular weight of 350.47 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline is sourced from PubChem (CID 171450161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).