4-(4-tert-butylnaphthalen-2-yl)-7-(2,2-dimethylpropyl)-5,5-dimethyl-[1]benzogermolo[3,2-d]pyrimidine

C31H36GeN2 — CID 172528345

IUPAC4-(4-tert-butylnaphthalen-2-yl)-7-(2,2-dimethylpropyl)-5,5-dimethyl-[1]benzogermolo[3,2-d]pyrimidine
SMILESCC(C)(C)Cc1ccc2c(c1)[Ge](C)(C)c1c(-c3cc(C(C)(C)C)c4ccccc4c3)ncnc1-2
InChIInChI=1S/C31H36GeN2/c1-30(2,3)18-20-13-14-24-26(15-20)32(7,8)27-28(33-19-34-29(24)27)22-16-21-11-9-10-12-23(21)25(17-22)31(4,5)6/h9-17,19H,18H2,1-8H3
InChIKeyLKKCKJKJNHVXJC-UHFFFAOYSA-N
MW509.25 g/mol
LogP6.99
Rot. Bonds2

About 4-(4-tert-butylnaphthalen-2-yl)-7-(2,2-dimethylpropyl)-5,5-dimethyl-[1]benzogermolo[3,2-d]pyrimidine

4-(4-tert-butylnaphthalen-2-yl)-7-(2,2-dimethylpropyl)-5,5-dimethyl-[1]benzogermolo[3,2-d]pyrimidine (PubChem CID 172528345) has the molecular formula C31H36GeN2 and a molecular weight of 509.25 g/mol. Its IUPAC name is 4-(4-tert-butylnaphthalen-2-yl)-7-(2,2-dimethylpropyl)-5,5-dimethyl-[1]benzogermolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(4-tert-butylnaphthalen-2-yl)-7-(2,2-dimethylpropyl)-5,5-dimethyl-[1]benzogermolo[3,2-d]pyrimidine
PubChem CID172528345
Molecular FormulaC31H36GeN2
Molecular Weight509.25 g/mol
Exact Mass510.21
IUPAC Name4-(4-tert-butylnaphthalen-2-yl)-7-(2,2-dimethylpropyl)-5,5-dimethyl-[1]benzogermolo[3,2-d]pyrimidine
SMILESCC(C)(C)Cc1ccc2c(c1)[Ge](C)(C)c1c(-c3cc(C(C)(C)C)c4ccccc4c3)ncnc1-2
InChIInChI=1S/C31H36GeN2/c1-30(2,3)18-20-13-14-24-26(15-20)32(7,8)27-28(33-19-34-29(24)27)22-16-21-11-9-10-12-23(21)25(17-22)31(4,5)6/h9-17,19H,18H2,1-8H3
InChIKeyLKKCKJKJNHVXJC-UHFFFAOYSA-N
XLogP6.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.25
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylnaphthalen-2-yl)-4-[5-(2,2-dimethylpropyl)-1,1-dimethyl-1-benzogermol-2-yl]pyridine
CID 176748893
8-(2,2-dimethylpropyl)-4-[4-(2-isocyanopropan-2-yl)naphthalen-2-yl]benzo[h]quinazoline
CID 176812271
4-(4-tert-butylnaphthalen-2-yl)-6-[5-[4-(2,2-dimethylpropyl)phenyl]-2-methylthiophen-3-yl]pyrimidine
CID 156665477
[4-[1-(4-tert-butylnaphthalen-2-yl)-9,9-dimethyl-[1]benzogermolo[2,3-c]pyridin-7-yl]-3-methylphenyl]-trimethylsilane
CID 171747851
4-(4-tert-butylnaphthalen-2-yl)-8-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazoline
CID 171450283
1-(4-tert-butylnaphthalen-2-yl)-7-[4-(2,2-dimethylpropyl)-2-methylphenyl]-8-fluoro-[1]benzoselenolo[2,3-c]pyridine
CID 168736821
4-(4-tert-butylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-[1,3]tellurazolo[5,4-c]pyridine
CID 164733300
4-(4-tert-butylnaphthalen-2-yl)benzo[g]pteridine
CID 156629468
4-(4-tert-butylnaphthalen-2-yl)-2-(2,2-dimethylpropyl)-[1,3]tellurazolo[5,4-c]pyridine
CID 164733565
1-(4-tert-butylnaphthalen-2-yl)-7-(2,2-dimethylpropyl)-2,8-phenanthroline
CID 156667178
4-(4-tert-butylnaphthalen-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidine
CID 153428560
7-(2,2-dimethylpropyl)-4-[4-(isocyanomethyl)naphthalen-2-yl]quinazoline
CID 176812267

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylnaphthalen-2-yl)-7-(2,2-dimethylpropyl)-5,5-dimethyl-[1]benzogermolo[3,2-d]pyrimidine?
The IUPAC name of 4-(4-tert-butylnaphthalen-2-yl)-7-(2,2-dimethylpropyl)-5,5-dimethyl-[1]benzogermolo[3,2-d]pyrimidine (CID 172528345) is 4-(4-tert-butylnaphthalen-2-yl)-7-(2,2-dimethylpropyl)-5,5-dimethyl-[1]benzogermolo[3,2-d]pyrimidine.
What is the SMILES notation for 4-(4-tert-butylnaphthalen-2-yl)-7-(2,2-dimethylpropyl)-5,5-dimethyl-[1]benzogermolo[3,2-d]pyrimidine?
The canonical SMILES for 4-(4-tert-butylnaphthalen-2-yl)-7-(2,2-dimethylpropyl)-5,5-dimethyl-[1]benzogermolo[3,2-d]pyrimidine is CC(C)(C)Cc1ccc2c(c1)[Ge](C)(C)c1c(-c3cc(C(C)(C)C)c4ccccc4c3)ncnc1-2.
What is the InChIKey of 4-(4-tert-butylnaphthalen-2-yl)-7-(2,2-dimethylpropyl)-5,5-dimethyl-[1]benzogermolo[3,2-d]pyrimidine?
The InChIKey is LKKCKJKJNHVXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36GeN2/c1-30(2,3)18-20-13-14-24-26(15-20)32(7,8)27-28(33-19-34-29(24)27)22-16-21-11-9-10-12-23(21)25(17-22)31(4,5)6/h9-17,19H,18H2,1-8H3.
What are the key properties of 4-(4-tert-butylnaphthalen-2-yl)-7-(2,2-dimethylpropyl)-5,5-dimethyl-[1]benzogermolo[3,2-d]pyrimidine?
4-(4-tert-butylnaphthalen-2-yl)-7-(2,2-dimethylpropyl)-5,5-dimethyl-[1]benzogermolo[3,2-d]pyrimidine has a molecular weight of 509.25 g/mol, XLogP of 6.99, 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)-7-(2,2-dimethylpropyl)-5,5-dimethyl-[1]benzogermolo[3,2-d]pyrimidine is sourced from PubChem (CID 172528345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).