4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine

C35H29N — CID 59747180

IUPAC4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccnc5c4C(C)(C)c4ccccc4-5)c3)cc21
InChIInChI=1S/C35H29N/c1-34(2)29-14-7-5-12-26(29)27-17-16-23(21-31(27)34)22-10-9-11-24(20-22)25-18-19-36-33-28-13-6-8-15-30(28)35(3,4)32(25)33/h5-21H,1-4H3
InChIKeyBWYDAFJLSNDILQ-UHFFFAOYSA-N
MW463.62 g/mol
LogP9.03
Rot. Bonds2

About 4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine

4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine (PubChem CID 59747180) has the molecular formula C35H29N and a molecular weight of 463.62 g/mol. Its IUPAC name is 4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine.

Molecular Properties

Compound Name4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine
PubChem CID59747180
Molecular FormulaC35H29N
Molecular Weight463.62 g/mol
Exact Mass463.23
IUPAC Name4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccnc5c4C(C)(C)c4ccccc4-5)c3)cc21
InChIInChI=1S/C35H29N/c1-34(2)29-14-7-5-12-26(29)27-17-16-23(21-31(27)34)22-10-9-11-24(20-22)25-18-19-36-33-28-13-6-8-15-30(28)35(3,4)32(25)33/h5-21H,1-4H3
InChIKeyBWYDAFJLSNDILQ-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

1-[3-(9,9-dimethylfluoren-2-yl)phenyl]isoquinoline
CID 53488142
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine
CID 153423317
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2-chloro-4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine
CID 88556442
1-[3-[7-(3-isoquinolin-1-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline
CID 58881218
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]-9,9-dimethylfluorene
CID 58881198
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]pyridine
CID 58881047
CID 140720702
CID 140720702
2-(9,9-dimethylfluoren-2-yl)-6-[7-[7-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyridine
CID 58881225
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 4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine?
The IUPAC name of 4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine (CID 59747180) is 4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine.
What is the SMILES notation for 4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine?
The canonical SMILES for 4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccnc5c4C(C)(C)c4ccccc4-5)c3)cc21.
What is the InChIKey of 4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine?
The InChIKey is BWYDAFJLSNDILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29N/c1-34(2)29-14-7-5-12-26(29)27-17-16-23(21-31(27)34)22-10-9-11-24(20-22)25-18-19-36-33-28-13-6-8-15-30(28)35(3,4)32(25)33/h5-21H,1-4H3.
What are the key properties of 4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine?
4-[3-(9,9-dimethylfluoren-2-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 4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine is sourced from PubChem (CID 59747180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).