6-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine

C36H31N — CID 66594307

IUPAC6-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine
SMILESCc1ccc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)-c4cccnc4C5(C)C)ccc2-3)cc1
InChIInChI=1S/C36H31N/c1-22-8-10-23(11-9-22)25-12-15-27-28-16-13-26(21-33(28)35(2,3)32(27)20-25)24-14-17-31-30(19-24)29-7-6-18-37-34(29)36(31,4)5/h6-21H,1-5H3
InChIKeyYZKZXACPQARSQC-UHFFFAOYSA-N
MW477.65 g/mol
LogP9.34
Rot. Bonds2

About 6-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine

6-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine (PubChem CID 66594307) has the molecular formula C36H31N and a molecular weight of 477.65 g/mol. Its IUPAC name is 6-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine.

Molecular Properties

Compound Name6-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine
PubChem CID66594307
Molecular FormulaC36H31N
Molecular Weight477.65 g/mol
Exact Mass477.25
IUPAC Name6-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine
SMILESCc1ccc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)-c4cccnc4C5(C)C)ccc2-3)cc1
InChIInChI=1S/C36H31N/c1-22-8-10-23(11-9-22)25-12-15-27-28-16-13-26(21-33(28)35(2,3)32(27)20-25)24-14-17-31-30(19-24)29-7-6-18-37-34(29)36(31,4)5/h6-21H,1-5H3
InChIKeyYZKZXACPQARSQC-UHFFFAOYSA-N
XLogP9.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.65
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
ethane;6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585060
9,9-dimethyl-3-[3-[4-(4-methylphenyl)phenyl]phenyl]fluorene
CID 156827523
2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4-phenylphenyl]pyridine
CID 58880979
2-(7,9,9-trimethylfluoren-2-yl)pyridine
CID 140941467
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine
CID 153423317
2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine
CID 153423472
2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]pyridine
CID 58881047
2-[7-[7-[9,9-dimethyl-2-(4-phenylphenyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrimidine
CID 58880891
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 58273805
2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene
CID 58943521
2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-pyridin-2-ylphenyl]pyridine
CID 58881166

Frequently Asked Questions

What is the IUPAC name of 6-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine?
The IUPAC name of 6-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine (CID 66594307) is 6-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine.
What is the SMILES notation for 6-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine?
The canonical SMILES for 6-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine is Cc1ccc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)-c4cccnc4C5(C)C)ccc2-3)cc1.
What is the InChIKey of 6-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine?
The InChIKey is YZKZXACPQARSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31N/c1-22-8-10-23(11-9-22)25-12-15-27-28-16-13-26(21-33(28)35(2,3)32(27)20-25)24-14-17-31-30(19-24)29-7-6-18-37-34(29)36(31,4)5/h6-21H,1-5H3.
What are the key properties of 6-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine?
6-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine has a molecular weight of 477.65 g/mol, XLogP of 9.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine is sourced from PubChem (CID 66594307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).