2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine

C35H29N — CID 66594001

IUPAC2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(-c4ccc5c(n4)-c4ccccc4C5(C)C)c3)ccc21
InChIInChI=1S/C35H29N/c1-34(2)28-14-7-5-12-25(28)27-21-23(16-17-30(27)34)22-10-9-11-24(20-22)32-19-18-31-33(36-32)26-13-6-8-15-29(26)35(31,3)4/h5-21H,1-4H3
InChIKeyFGCRFFGDKFICGH-UHFFFAOYSA-N
MW463.62 g/mol
LogP9.03
Rot. Bonds2

About 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine

2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine (PubChem CID 66594001) has the molecular formula C35H29N and a molecular weight of 463.62 g/mol. Its IUPAC name is 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine.

Molecular Properties

Compound Name2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine
PubChem CID66594001
Molecular FormulaC35H29N
Molecular Weight463.62 g/mol
Exact Mass463.23
IUPAC Name2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(-c4ccc5c(n4)-c4ccccc4C5(C)C)c3)ccc21
InChIInChI=1S/C35H29N/c1-34(2)28-14-7-5-12-25(28)27-21-23(16-17-30(27)34)22-10-9-11-24(20-22)32-19-18-31-33(36-32)26-13-6-8-15-29(26)35(31,3)4/h5-21H,1-4H3
InChIKeyFGCRFFGDKFICGH-UHFFFAOYSA-N
XLogP9.03
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 ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenanthren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine
CID 59747213
2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine
CID 161235712
2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethyl-8-quinolin-2-ylindeno[1,2-b]pyridine
CID 59747284
2-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine
CID 167344461
2-(9,9-dimethylfluoren-3-yl)-4-[3-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154614101
6-(9,9-dimethylfluoren-2-yl)-2-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-3-phenylpyridine
CID 58881124
4-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 121450695
2,3,5-triphenyl-6-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]pyrazine
CID 166901883
2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine
CID 153423472
5,5-dimethyl-2-[2,4,5-tris(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenyl]indeno[1,2-b]pyridine
CID 59747186
2-(9,9-dimethylfluoren-2-yl)-5,5-dimethyl-8-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyridine
CID 59747285
4-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 167344610

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine?
The IUPAC name of 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine (CID 66594001) is 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine.
What is the SMILES notation for 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine?
The canonical SMILES for 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine is CC1(C)c2ccccc2-c2cc(-c3cccc(-c4ccc5c(n4)-c4ccccc4C5(C)C)c3)ccc21.
What is the InChIKey of 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine?
The InChIKey is FGCRFFGDKFICGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29N/c1-34(2)28-14-7-5-12-25(28)27-21-23(16-17-30(27)34)22-10-9-11-24(20-22)32-19-18-31-33(36-32)26-13-6-8-15-29(26)35(31,3)4/h5-21H,1-4H3.
What are the key properties of 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine?
2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine has a molecular weight of 463.62 g/mol, XLogP of 9.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine is sourced from PubChem (CID 66594001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).