2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-methylpyridine

C33H35N — CID 140560446

IUPAC2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-methylpyridine
SMILESCc1cccc(C2(c3ccccc3)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)n1
InChIInChI=1S/C33H35N/c1-22-12-11-15-30(34-22)33(23-13-9-8-10-14-23)28-20-24(31(2,3)4)16-18-26(28)27-19-17-25(21-29(27)33)32(5,6)7/h8-21H,1-7H3
InChIKeyKMJRZDRKFBOGRI-UHFFFAOYSA-N
MW445.65 g/mol
LogP8.35
Rot. Bonds2

About 2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-methylpyridine

2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-methylpyridine (PubChem CID 140560446) has the molecular formula C33H35N and a molecular weight of 445.65 g/mol. Its IUPAC name is 2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-methylpyridine.

Molecular Properties

Compound Name2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-methylpyridine
PubChem CID140560446
Molecular FormulaC33H35N
Molecular Weight445.65 g/mol
Exact Mass445.28
IUPAC Name2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-methylpyridine
SMILESCc1cccc(C2(c3ccccc3)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)n1
InChIInChI=1S/C33H35N/c1-22-12-11-15-30(34-22)33(23-13-9-8-10-14-23)28-20-24(31(2,3)4)16-18-26(28)27-19-17-25(21-29(27)33)32(5,6)7/h8-21H,1-7H3
InChIKeyKMJRZDRKFBOGRI-UHFFFAOYSA-N
XLogP8.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.65
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-6-[9-(3-bromophenyl)-2,7-ditert-butylfluoren-9-yl]pyridine
CID 166511751
2-methyl-6-[9-[3-[1-[3-[9-(6-methyl-2-pyridinyl)fluoren-9-yl]phenyl]-2,2-diphenylethenyl]phenyl]fluoren-9-yl]pyridine
CID 167327880
2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane
CID 167665331
2-[6-[9-(3-benzo[g]quinoxalin-3-ylphenyl)-2,7-ditert-butylfluoren-9-yl]-2-pyridinyl]phenol
CID 166511841
2-[2,7-ditert-butyl-9-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]fluoren-9-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 122218757
6-(7-tert-butyl-9,9-diphenylfluoren-2-yl)benzimidazolo[1,2-c]quinazoline
CID 122593126
2-[3,5-ditert-butyl-6-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol
CID 161415824
7-(3-tert-butylphenyl)-9,9-diphenylfluoren-2-amine
CID 156902961
5-[9-[3,5-bis(N-phenylanilino)phenyl]-2,7-ditert-butylfluoren-9-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 58141937
CID 158520359
CID 158520359
2-(2-tert-butylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153287761
2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine
CID 151739192

Frequently Asked Questions

What is the IUPAC name of 2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-methylpyridine?
The IUPAC name of 2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-methylpyridine (CID 140560446) is 2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-methylpyridine.
What is the SMILES notation for 2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-methylpyridine?
The canonical SMILES for 2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-methylpyridine is Cc1cccc(C2(c3ccccc3)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)n1.
What is the InChIKey of 2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-methylpyridine?
The InChIKey is KMJRZDRKFBOGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N/c1-22-12-11-15-30(34-22)33(23-13-9-8-10-14-23)28-20-24(31(2,3)4)16-18-26(28)27-19-17-25(21-29(27)33)32(5,6)7/h8-21H,1-7H3.
What are the key properties of 2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-methylpyridine?
2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-methylpyridine has a molecular weight of 445.65 g/mol, XLogP of 8.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-methylpyridine is sourced from PubChem (CID 140560446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).