4-(4-fluorophenyl)-9,9-dimethyl-3-[(E)-3-methylbut-1-enyl]-2-propan-2-ylindeno[2,1-b]pyridine

C28H30FN — CID 21357595

IUPAC4-(4-fluorophenyl)-9,9-dimethyl-3-[(E)-3-methylbut-1-enyl]-2-propan-2-ylindeno[2,1-b]pyridine
SMILESCC(C)/C=C/c1c(C(C)C)nc2c(c1-c1ccc(F)cc1)-c1ccccc1C2(C)C
InChIInChI=1S/C28H30FN/c1-17(2)11-16-22-24(19-12-14-20(29)15-13-19)25-21-9-7-8-10-23(21)28(5,6)27(25)30-26(22)18(3)4/h7-18H,1-6H3/b16-11+
InChIKeyXWWDRTJWVOOHMO-LFIBNONCSA-N
MW399.55 g/mol
LogP7.99
Rot. Bonds4

About 4-(4-fluorophenyl)-9,9-dimethyl-3-[(E)-3-methylbut-1-enyl]-2-propan-2-ylindeno[2,1-b]pyridine

4-(4-fluorophenyl)-9,9-dimethyl-3-[(E)-3-methylbut-1-enyl]-2-propan-2-ylindeno[2,1-b]pyridine (PubChem CID 21357595) has the molecular formula C28H30FN and a molecular weight of 399.55 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-9,9-dimethyl-3-[(E)-3-methylbut-1-enyl]-2-propan-2-ylindeno[2,1-b]pyridine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-9,9-dimethyl-3-[(E)-3-methylbut-1-enyl]-2-propan-2-ylindeno[2,1-b]pyridine
PubChem CID21357595
Molecular FormulaC28H30FN
Molecular Weight399.55 g/mol
Exact Mass399.24
IUPAC Name4-(4-fluorophenyl)-9,9-dimethyl-3-[(E)-3-methylbut-1-enyl]-2-propan-2-ylindeno[2,1-b]pyridine
SMILESCC(C)/C=C/c1c(C(C)C)nc2c(c1-c1ccc(F)cc1)-c1ccccc1C2(C)C
InChIInChI=1S/C28H30FN/c1-17(2)11-16-22-24(19-12-14-20(29)15-13-19)25-21-9-7-8-10-23(21)28(5,6)27(25)30-26(22)18(3)4/h7-18H,1-6H3/b16-11+
InChIKeyXWWDRTJWVOOHMO-LFIBNONCSA-N
XLogP7.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.55
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-fluorophenyl)-3-[(E)-3-methylbut-1-enyl]-6-phenyl-2-propan-2-ylpyridine
CID 142622578
4-(4-fluorophenyl)-3-[(E)-3-methylbut-1-enyl]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,2-d][1]benzazepine
CID 21362639
9-fluoro-4-(4-fluorophenyl)-3-[(E)-3-methylbut-1-enyl]-2-propan-2-yl-5,6-dihydro-[1]benzoxepino[5,4-b]pyridine
CID 21362649
(E)-3-[4-(4-fluorophenyl)-5-[(E)-3-oxoprop-1-enyl]-2,6-di(propan-2-yl)-3-pyridinyl]prop-2-enal
CID 15924228
methyl 7-[4-(4-fluorophenyl)-5-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoate
CID 172810966
2-cyclopropyl-4-(4-fluorophenyl)-5,5-dimethyl-3-[(E)-3-methylbut-1-enyl]-6H-[1]benzoxepino[5,4-b]pyridine
CID 21362634
4-(4-fluorophenyl)-8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-1,6-naphthyridine-3-carbaldehyde
CID 89099570
5-[10-(4-fluorophenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 88549809
3-ethenyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine
CID 19867626
9-(9,9-dimethylfluoren-4-yl)-10-(4-fluorophenyl)-2-naphthalen-2-ylanthracene
CID 59195494
(E,3S,5R)-7-[4-(4-fluorophenyl)-2-propan-2-ylquinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
CID 14229349
3-[6-(dimethylamino)-4-(4-fluorophenyl)-5-(3-oxoprop-1-enyl)-2-propan-2-yl-3-pyridinyl]prop-2-enal
CID 54563451

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-9,9-dimethyl-3-[(E)-3-methylbut-1-enyl]-2-propan-2-ylindeno[2,1-b]pyridine?
The IUPAC name of 4-(4-fluorophenyl)-9,9-dimethyl-3-[(E)-3-methylbut-1-enyl]-2-propan-2-ylindeno[2,1-b]pyridine (CID 21357595) is 4-(4-fluorophenyl)-9,9-dimethyl-3-[(E)-3-methylbut-1-enyl]-2-propan-2-ylindeno[2,1-b]pyridine.
What is the SMILES notation for 4-(4-fluorophenyl)-9,9-dimethyl-3-[(E)-3-methylbut-1-enyl]-2-propan-2-ylindeno[2,1-b]pyridine?
The canonical SMILES for 4-(4-fluorophenyl)-9,9-dimethyl-3-[(E)-3-methylbut-1-enyl]-2-propan-2-ylindeno[2,1-b]pyridine is CC(C)/C=C/c1c(C(C)C)nc2c(c1-c1ccc(F)cc1)-c1ccccc1C2(C)C.
What is the InChIKey of 4-(4-fluorophenyl)-9,9-dimethyl-3-[(E)-3-methylbut-1-enyl]-2-propan-2-ylindeno[2,1-b]pyridine?
The InChIKey is XWWDRTJWVOOHMO-LFIBNONCSA-N. The full InChI is InChI=1S/C28H30FN/c1-17(2)11-16-22-24(19-12-14-20(29)15-13-19)25-21-9-7-8-10-23(21)28(5,6)27(25)30-26(22)18(3)4/h7-18H,1-6H3/b16-11+.
What are the key properties of 4-(4-fluorophenyl)-9,9-dimethyl-3-[(E)-3-methylbut-1-enyl]-2-propan-2-ylindeno[2,1-b]pyridine?
4-(4-fluorophenyl)-9,9-dimethyl-3-[(E)-3-methylbut-1-enyl]-2-propan-2-ylindeno[2,1-b]pyridine has a molecular weight of 399.55 g/mol, XLogP of 7.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-9,9-dimethyl-3-[(E)-3-methylbut-1-enyl]-2-propan-2-ylindeno[2,1-b]pyridine is sourced from PubChem (CID 21357595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).