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

C29H30N2 — CID 171450218

IUPAC8-(2-methylpropyl)-4-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline
SMILESCC(C)Cc1ccc2c(n1)CCc1c-2ccnc1-c1cc(C(C)C)c2ccccc2c1
InChIInChI=1S/C29H30N2/c1-18(2)15-22-9-10-25-24-13-14-30-29(26(24)11-12-28(25)31-22)21-16-20-7-5-6-8-23(20)27(17-21)19(3)4/h5-10,13-14,16-19H,11-12,15H2,1-4H3
InChIKeyUZTGXDDYVOUUDR-UHFFFAOYSA-N
MW406.57 g/mol
LogP7.38
Rot. Bonds4

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

8-(2-methylpropyl)-4-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline (PubChem CID 171450218) has the molecular formula C29H30N2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 8-(2-methylpropyl)-4-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline.

Molecular Properties

Compound Name8-(2-methylpropyl)-4-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline
PubChem CID171450218
Molecular FormulaC29H30N2
Molecular Weight406.57 g/mol
Exact Mass406.24
IUPAC Name8-(2-methylpropyl)-4-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline
SMILESCC(C)Cc1ccc2c(n1)CCc1c-2ccnc1-c1cc(C(C)C)c2ccccc2c1
InChIInChI=1S/C29H30N2/c1-18(2)15-22-9-10-25-24-13-14-30-29(26(24)11-12-28(25)31-22)21-16-20-7-5-6-8-23(20)27(17-21)19(3)4/h5-10,13-14,16-19H,11-12,15H2,1-4H3
InChIKeyUZTGXDDYVOUUDR-UHFFFAOYSA-N
XLogP7.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-methylpropyl)-15-(4-phenylnaphthalen-2-yl)-17-thia-6,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene
CID 171581570
4-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-5,6-dihydro-3,7-phenanthroline
CID 171450326
5,5-dimethyl-1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzogermolo[3,2-c]pyridine
CID 172528387
8-propan-2-yl-2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline
CID 171450405
7-(4-tert-butylnaphthalen-2-yl)-3-(2-methylpropyl)-5,6-dihydro-1,8-phenanthroline
CID 171450261
2-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline
CID 171450161
4-(4-tert-butylnaphthalen-2-yl)-8-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazoline
CID 171450283
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;8-phenyl-4-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-5,6-dihydro-3,7-phenanthroline
CID 171450433
trimethyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-7-yl]silane
CID 166018657
trimethyl-[7-methyl-1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]silane
CID 170533921
trimethyl-[3-methyl-4-[2-(4-propan-2-ylnaphthalen-2-yl)-4-pyridinyl]phenyl]germane
CID 171764430
6-propan-2-yl-1-(4-propan-2-ylphenanthren-2-yl)isoquinoline
CID 170661018

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylpropyl)-4-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline?
The IUPAC name of 8-(2-methylpropyl)-4-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline (CID 171450218) is 8-(2-methylpropyl)-4-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline.
What is the SMILES notation for 8-(2-methylpropyl)-4-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline?
The canonical SMILES for 8-(2-methylpropyl)-4-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline is CC(C)Cc1ccc2c(n1)CCc1c-2ccnc1-c1cc(C(C)C)c2ccccc2c1.
What is the InChIKey of 8-(2-methylpropyl)-4-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline?
The InChIKey is UZTGXDDYVOUUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2/c1-18(2)15-22-9-10-25-24-13-14-30-29(26(24)11-12-28(25)31-22)21-16-20-7-5-6-8-23(20)27(17-21)19(3)4/h5-10,13-14,16-19H,11-12,15H2,1-4H3.
What are the key properties of 8-(2-methylpropyl)-4-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline?
8-(2-methylpropyl)-4-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline has a molecular weight of 406.57 g/mol, XLogP of 7.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylpropyl)-4-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline is sourced from PubChem (CID 171450218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).