4-tert-butyl-2-[4-[7-(4-tert-butyl-2-pyridinyl)naphthalen-1-yl]naphthalen-2-yl]pyridine

C38H36N2 — CID 155643269

IUPAC4-tert-butyl-2-[4-[7-(4-tert-butyl-2-pyridinyl)naphthalen-1-yl]naphthalen-2-yl]pyridine
SMILESCC(C)(C)c1ccnc(-c2cc(-c3cccc4ccc(-c5cc(C(C)(C)C)ccn5)cc34)c3ccccc3c2)c1
InChIInChI=1S/C38H36N2/c1-37(2,3)29-16-18-39-35(23-29)27-15-14-25-11-9-13-32(33(25)21-27)34-22-28(20-26-10-7-8-12-31(26)34)36-24-30(17-19-40-36)38(4,5)6/h7-24H,1-6H3
InChIKeyAFEAJYMKLDOCTL-UHFFFAOYSA-N
MW520.72 g/mol
LogP10.38
Rot. Bonds3

About 4-tert-butyl-2-[4-[7-(4-tert-butyl-2-pyridinyl)naphthalen-1-yl]naphthalen-2-yl]pyridine

4-tert-butyl-2-[4-[7-(4-tert-butyl-2-pyridinyl)naphthalen-1-yl]naphthalen-2-yl]pyridine (PubChem CID 155643269) has the molecular formula C38H36N2 and a molecular weight of 520.72 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-[7-(4-tert-butyl-2-pyridinyl)naphthalen-1-yl]naphthalen-2-yl]pyridine.

Molecular Properties

Compound Name4-tert-butyl-2-[4-[7-(4-tert-butyl-2-pyridinyl)naphthalen-1-yl]naphthalen-2-yl]pyridine
PubChem CID155643269
Molecular FormulaC38H36N2
Molecular Weight520.72 g/mol
Exact Mass520.29
IUPAC Name4-tert-butyl-2-[4-[7-(4-tert-butyl-2-pyridinyl)naphthalen-1-yl]naphthalen-2-yl]pyridine
SMILESCC(C)(C)c1ccnc(-c2cc(-c3cccc4ccc(-c5cc(C(C)(C)C)ccn5)cc34)c3ccccc3c2)c1
InChIInChI=1S/C38H36N2/c1-37(2,3)29-16-18-39-35(23-29)27-15-14-25-11-9-13-32(33(25)21-27)34-22-28(20-26-10-7-8-12-31(26)34)36-24-30(17-19-40-36)38(4,5)6/h7-24H,1-6H3
InChIKeyAFEAJYMKLDOCTL-UHFFFAOYSA-N
XLogP10.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.72
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-2-[4-[7-(4-tert-butyl-2-pyridinyl)naphthalen-1-yl]naphthalen-2-yl]pyridine with MolForge

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Related Compounds

6-tert-butyl-1-[3-[7-(6-tert-butylisoquinolin-1-yl)naphthalen-1-yl]phenyl]isoquinoline
CID 155643331
7-tert-butyl-1-(8-naphthalen-1-yl-6-phenanthren-9-ylnaphthalen-2-yl)pyrene
CID 59629694
5-(4-tert-butyl-2-pyridinyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3(8),4,6,9,13,15,17,19(23),20-undecaene
CID 168733977
1-[3-tert-butyl-5-[9-[3-(4-tert-butyl-2-pyridinyl)phenyl]fluoren-9-yl]phenyl]isoquinoline
CID 153428819
2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]-3-(2,6-dimethylphenyl)phenyl]-4-tert-butylpyridine
CID 140838950
3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)naphthalen-1-yl]naphthalene
CID 175769843
2-naphthalen-1-yl-4-naphthalen-2-ylpyridine
CID 144888160
4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine
CID 170196288
tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+)
CID 161156371
4-(4-tert-butyl-2-pyridinyl)-19-methyl-8-azatetracyclo[13.3.1.02,7.09,14]nonadeca-1(18),2(7),3,5,9,11,13,15(19),16-nonaene
CID 168766397
4-tert-butyl-2-(6-phenyldibenzothiophen-3-yl)pyridine
CID 166574277
1-[3-tert-butyl-5-[4-(4-tert-butyl-2-pyridinyl)naphthalen-2-yl]oxyphenyl]isoquinoline
CID 153429141

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[4-[7-(4-tert-butyl-2-pyridinyl)naphthalen-1-yl]naphthalen-2-yl]pyridine?
The IUPAC name of 4-tert-butyl-2-[4-[7-(4-tert-butyl-2-pyridinyl)naphthalen-1-yl]naphthalen-2-yl]pyridine (CID 155643269) is 4-tert-butyl-2-[4-[7-(4-tert-butyl-2-pyridinyl)naphthalen-1-yl]naphthalen-2-yl]pyridine.
What is the SMILES notation for 4-tert-butyl-2-[4-[7-(4-tert-butyl-2-pyridinyl)naphthalen-1-yl]naphthalen-2-yl]pyridine?
The canonical SMILES for 4-tert-butyl-2-[4-[7-(4-tert-butyl-2-pyridinyl)naphthalen-1-yl]naphthalen-2-yl]pyridine is CC(C)(C)c1ccnc(-c2cc(-c3cccc4ccc(-c5cc(C(C)(C)C)ccn5)cc34)c3ccccc3c2)c1.
What is the InChIKey of 4-tert-butyl-2-[4-[7-(4-tert-butyl-2-pyridinyl)naphthalen-1-yl]naphthalen-2-yl]pyridine?
The InChIKey is AFEAJYMKLDOCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36N2/c1-37(2,3)29-16-18-39-35(23-29)27-15-14-25-11-9-13-32(33(25)21-27)34-22-28(20-26-10-7-8-12-31(26)34)36-24-30(17-19-40-36)38(4,5)6/h7-24H,1-6H3.
What are the key properties of 4-tert-butyl-2-[4-[7-(4-tert-butyl-2-pyridinyl)naphthalen-1-yl]naphthalen-2-yl]pyridine?
4-tert-butyl-2-[4-[7-(4-tert-butyl-2-pyridinyl)naphthalen-1-yl]naphthalen-2-yl]pyridine has a molecular weight of 520.72 g/mol, XLogP of 10.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[4-[7-(4-tert-butyl-2-pyridinyl)naphthalen-1-yl]naphthalen-2-yl]pyridine is sourced from PubChem (CID 155643269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).