4-(6b,7-dihydrofluoranthen-3-yl)-2-(4-tert-butylnaphthalen-2-yl)pyridine

C35H29N — CID 171578864

IUPAC4-(6b,7-dihydrofluoranthen-3-yl)-2-(4-tert-butylnaphthalen-2-yl)pyridine
SMILESCC(C)(C)c1cc(-c2cc(-c3ccc4c5c(cccc35)C3CC=CC=C43)ccn2)cc2ccccc12
InChIInChI=1S/C35H29N/c1-35(2,3)32-20-24(19-22-9-4-5-10-26(22)32)33-21-23(17-18-36-33)25-15-16-31-28-12-7-6-11-27(28)30-14-8-13-29(25)34(30)31/h4-10,12-21,27H,11H2,1-3H3
InChIKeyXAHLYFMZJUVQLT-UHFFFAOYSA-N
MW463.62 g/mol
LogP9.46
Rot. Bonds2

About 4-(6b,7-dihydrofluoranthen-3-yl)-2-(4-tert-butylnaphthalen-2-yl)pyridine

4-(6b,7-dihydrofluoranthen-3-yl)-2-(4-tert-butylnaphthalen-2-yl)pyridine (PubChem CID 171578864) has the molecular formula C35H29N and a molecular weight of 463.62 g/mol. Its IUPAC name is 4-(6b,7-dihydrofluoranthen-3-yl)-2-(4-tert-butylnaphthalen-2-yl)pyridine.

Molecular Properties

Compound Name4-(6b,7-dihydrofluoranthen-3-yl)-2-(4-tert-butylnaphthalen-2-yl)pyridine
PubChem CID171578864
Molecular FormulaC35H29N
Molecular Weight463.62 g/mol
Exact Mass463.23
IUPAC Name4-(6b,7-dihydrofluoranthen-3-yl)-2-(4-tert-butylnaphthalen-2-yl)pyridine
SMILESCC(C)(C)c1cc(-c2cc(-c3ccc4c5c(cccc35)C3CC=CC=C43)ccn2)cc2ccccc12
InChIInChI=1S/C35H29N/c1-35(2,3)32-20-24(19-22-9-4-5-10-26(22)32)33-21-23(17-18-36-33)25-15-16-31-28-12-7-6-11-27(28)30-14-8-13-29(25)34(30)31/h4-10,12-21,27H,11H2,1-3H3
InChIKeyXAHLYFMZJUVQLT-UHFFFAOYSA-N
XLogP9.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.62
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]phenyl]-trimethylgermane
CID 171764449
3-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]furo[3,2-b]pyridine
CID 171741540
2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-1,3-benzothiazole
CID 156665312
2-(4-tert-butylnaphthalen-2-yl)-4-[3-(2-methylpropyl)-1-benzofuran-4-yl]pyridine
CID 171741293
2-(4-tert-butylnaphthalen-2-yl)-4-(7,7-difluoro-6,8-dihydro-5H-naphthalen-2-yl)pyridine
CID 165383632
[2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-1-benzofuran-5-yl]-trimethylgermane
CID 168743775
[4-[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-3-methylphenyl]-trimethylgermane
CID 171764411
7-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-2-(2-methylpropyl)thieno[3,2-b]pyridine
CID 171741407
[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-trimethylgermane
CID 177122651
1-(4-tert-butylnaphthalen-2-yl)-7-(4,4-dimethylcyclohexyl)benzo[h]isoquinoline
CID 156667190
4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-3-(2-methylpropyl)furo[3,2-c]pyridine
CID 171741873
4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-7-(2-methylpropyl)furo[2,3-c]pyridine
CID 171741748

Frequently Asked Questions

What is the IUPAC name of 4-(6b,7-dihydrofluoranthen-3-yl)-2-(4-tert-butylnaphthalen-2-yl)pyridine?
The IUPAC name of 4-(6b,7-dihydrofluoranthen-3-yl)-2-(4-tert-butylnaphthalen-2-yl)pyridine (CID 171578864) is 4-(6b,7-dihydrofluoranthen-3-yl)-2-(4-tert-butylnaphthalen-2-yl)pyridine.
What is the SMILES notation for 4-(6b,7-dihydrofluoranthen-3-yl)-2-(4-tert-butylnaphthalen-2-yl)pyridine?
The canonical SMILES for 4-(6b,7-dihydrofluoranthen-3-yl)-2-(4-tert-butylnaphthalen-2-yl)pyridine is CC(C)(C)c1cc(-c2cc(-c3ccc4c5c(cccc35)C3CC=CC=C43)ccn2)cc2ccccc12.
What is the InChIKey of 4-(6b,7-dihydrofluoranthen-3-yl)-2-(4-tert-butylnaphthalen-2-yl)pyridine?
The InChIKey is XAHLYFMZJUVQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29N/c1-35(2,3)32-20-24(19-22-9-4-5-10-26(22)32)33-21-23(17-18-36-33)25-15-16-31-28-12-7-6-11-27(28)30-14-8-13-29(25)34(30)31/h4-10,12-21,27H,11H2,1-3H3.
What are the key properties of 4-(6b,7-dihydrofluoranthen-3-yl)-2-(4-tert-butylnaphthalen-2-yl)pyridine?
4-(6b,7-dihydrofluoranthen-3-yl)-2-(4-tert-butylnaphthalen-2-yl)pyridine has a molecular weight of 463.62 g/mol, XLogP of 9.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6b,7-dihydrofluoranthen-3-yl)-2-(4-tert-butylnaphthalen-2-yl)pyridine is sourced from PubChem (CID 171578864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).