2-(3-tert-butyl-11,11-dimethylbenzo[a]fluoren-8-yl)pyridine

C28H27N — CID 168812331

IUPAC2-(3-tert-butyl-11,11-dimethylbenzo[a]fluoren-8-yl)pyridine
SMILESCC(C)(C)c1ccc2c3c(ccc2c1)-c1cc(-c2ccccn2)ccc1C3(C)C
InChIInChI=1S/C28H27N/c1-27(2,3)20-11-13-21-18(16-20)9-12-22-23-17-19(25-8-6-7-15-29-25)10-14-24(23)28(4,5)26(21)22/h6-17H,1-5H3
InChIKeyPUQMXQQUHABYME-UHFFFAOYSA-N
MW377.53 g/mol
LogP7.51
Rot. Bonds1

About 2-(3-tert-butyl-11,11-dimethylbenzo[a]fluoren-8-yl)pyridine

2-(3-tert-butyl-11,11-dimethylbenzo[a]fluoren-8-yl)pyridine (PubChem CID 168812331) has the molecular formula C28H27N and a molecular weight of 377.53 g/mol. Its IUPAC name is 2-(3-tert-butyl-11,11-dimethylbenzo[a]fluoren-8-yl)pyridine.

Molecular Properties

Compound Name2-(3-tert-butyl-11,11-dimethylbenzo[a]fluoren-8-yl)pyridine
PubChem CID168812331
Molecular FormulaC28H27N
Molecular Weight377.53 g/mol
Exact Mass377.21
IUPAC Name2-(3-tert-butyl-11,11-dimethylbenzo[a]fluoren-8-yl)pyridine
SMILESCC(C)(C)c1ccc2c3c(ccc2c1)-c1cc(-c2ccccn2)ccc1C3(C)C
InChIInChI=1S/C28H27N/c1-27(2,3)20-11-13-21-18(16-20)9-12-22-23-17-19(25-8-6-7-15-29-25)10-14-24(23)28(4,5)26(21)22/h6-17H,1-5H3
InChIKeyPUQMXQQUHABYME-UHFFFAOYSA-N
XLogP7.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine
CID 153423472
2-[3-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)phenyl]pyridine
CID 118472851
4-(10,10-dimethyl-18-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaenyl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine
CID 153288246
4-(10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine
CID 148886371
2-(2-tert-butyl-11,11-dimethyl-8H-benzo[a]fluoren-8-id-9-yl)pyridine;iridium;2,2,6,6-tetramethylheptane-3,5-diol
CID 168745253
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine
CID 153423317
2-[3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine
CID 59195620
2-[5-tert-butyl-2-(4-tert-butyl-2-pyridin-2-ylphenyl)phenyl]pyridine
CID 155908951
4-(11,11-dimethylbenzo[a]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)pyrimidine;4-(9,9-dimethylfluoren-3-yl)-2-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 160666449
11,11-dimethyl-2,9-diphenylindeno[2,1-a]phenanthrene
CID 171742980
4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 146632178
2-(7-tert-butylpyren-1-yl)-9-phenyl-7-pyridin-2-ylcarbazole
CID 59736368

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-11,11-dimethylbenzo[a]fluoren-8-yl)pyridine?
The IUPAC name of 2-(3-tert-butyl-11,11-dimethylbenzo[a]fluoren-8-yl)pyridine (CID 168812331) is 2-(3-tert-butyl-11,11-dimethylbenzo[a]fluoren-8-yl)pyridine.
What is the SMILES notation for 2-(3-tert-butyl-11,11-dimethylbenzo[a]fluoren-8-yl)pyridine?
The canonical SMILES for 2-(3-tert-butyl-11,11-dimethylbenzo[a]fluoren-8-yl)pyridine is CC(C)(C)c1ccc2c3c(ccc2c1)-c1cc(-c2ccccn2)ccc1C3(C)C.
What is the InChIKey of 2-(3-tert-butyl-11,11-dimethylbenzo[a]fluoren-8-yl)pyridine?
The InChIKey is PUQMXQQUHABYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N/c1-27(2,3)20-11-13-21-18(16-20)9-12-22-23-17-19(25-8-6-7-15-29-25)10-14-24(23)28(4,5)26(21)22/h6-17H,1-5H3.
What are the key properties of 2-(3-tert-butyl-11,11-dimethylbenzo[a]fluoren-8-yl)pyridine?
2-(3-tert-butyl-11,11-dimethylbenzo[a]fluoren-8-yl)pyridine has a molecular weight of 377.53 g/mol, XLogP of 7.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-11,11-dimethylbenzo[a]fluoren-8-yl)pyridine is sourced from PubChem (CID 168812331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).