4-[(E)-2-[2-(9,9-dimethyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine

C41H40N2 — CID 135192857

IUPAC4-[(E)-2-[2-(9,9-dimethyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine
SMILESCC(C)c1ccc2c(c1)C(C)(C)c1cc(-c3cc(/C=C/c4ccncc4)c(C(C)C)cc3/C=C/c3ccncc3)ccc1-2
InChIInChI=1S/C41H40N2/c1-27(2)31-11-13-35-36-14-12-34(26-40(36)41(5,6)39(35)25-31)38-24-32(9-7-29-15-19-42-20-16-29)37(28(3)4)23-33(38)10-8-30-17-21-43-22-18-30/h7-28H,1-6H3/b9-7+,10-8+
InChIKeyJZDBDSVLCYISNM-FIFLTTCUSA-N
MW560.79 g/mol
LogP11.04
Rot. Bonds7

About 4-[(E)-2-[2-(9,9-dimethyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine

4-[(E)-2-[2-(9,9-dimethyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine (PubChem CID 135192857) has the molecular formula C41H40N2 and a molecular weight of 560.79 g/mol. Its IUPAC name is 4-[(E)-2-[2-(9,9-dimethyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine.

Molecular Properties

Compound Name4-[(E)-2-[2-(9,9-dimethyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine
PubChem CID135192857
Molecular FormulaC41H40N2
Molecular Weight560.79 g/mol
Exact Mass560.32
IUPAC Name4-[(E)-2-[2-(9,9-dimethyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine
SMILESCC(C)c1ccc2c(c1)C(C)(C)c1cc(-c3cc(/C=C/c4ccncc4)c(C(C)C)cc3/C=C/c3ccncc3)ccc1-2
InChIInChI=1S/C41H40N2/c1-27(2)31-11-13-35-36-14-12-34(26-40(36)41(5,6)39(35)25-31)38-24-32(9-7-29-15-19-42-20-16-29)37(28(3)4)23-33(38)10-8-30-17-21-43-22-18-30/h7-28H,1-6H3/b9-7+,10-8+
InChIKeyJZDBDSVLCYISNM-FIFLTTCUSA-N
XLogP11.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.79
LogP ≤ 511.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(E)-2-[2-(9,9-dimethyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine with MolForge

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Launch Full Analysis

Related Compounds

carbanide;2-(9,9-dimethylfluoren-2-yl)-5-propan-2-ylphenol;titanium(3+)
CID 59270074
9,9-dimethyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217271
1-(9,9-dimethylfluoren-2-yl)-6-propan-2-ylisoquinoline
CID 121282910
9,9,10,10-tetramethyl-2,6-di(propan-2-yl)anthracene
CID 59611136
4-[(Z)-2-[2',7-bis[(E)-2-pyridin-4-ylethenyl]-7'-[(Z)-2-pyridin-4-ylethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]pyridine
CID 177487151
4-[2-[2,4,5-tris(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine
CID 86183195
9,9-dimethyl-2-[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217045
9,9-dimethyl-2-naphthalen-2-yl-7-[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217060
9,9-dimethyl-2-naphthalen-1-yl-7-(3-propan-2-ylphenyl)fluorene
CID 140584073
9,9-dimethyl-2-naphthalen-2-yl-7-[6-(2-phenylethenyl)naphthalen-2-yl]fluorene
CID 72533469
(4-methylphenyl)-diphenyl-[4-[4-[2-[4-[4-[2-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]phenyl]silane
CID 59061597
4,7,7-trimethyl-9-propan-2-ylbenzo[a]phenalene
CID 90901601

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[2-(9,9-dimethyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine?
The IUPAC name of 4-[(E)-2-[2-(9,9-dimethyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine (CID 135192857) is 4-[(E)-2-[2-(9,9-dimethyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine.
What is the SMILES notation for 4-[(E)-2-[2-(9,9-dimethyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine?
The canonical SMILES for 4-[(E)-2-[2-(9,9-dimethyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine is CC(C)c1ccc2c(c1)C(C)(C)c1cc(-c3cc(/C=C/c4ccncc4)c(C(C)C)cc3/C=C/c3ccncc3)ccc1-2.
What is the InChIKey of 4-[(E)-2-[2-(9,9-dimethyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine?
The InChIKey is JZDBDSVLCYISNM-FIFLTTCUSA-N. The full InChI is InChI=1S/C41H40N2/c1-27(2)31-11-13-35-36-14-12-34(26-40(36)41(5,6)39(35)25-31)38-24-32(9-7-29-15-19-42-20-16-29)37(28(3)4)23-33(38)10-8-30-17-21-43-22-18-30/h7-28H,1-6H3/b9-7+,10-8+.
What are the key properties of 4-[(E)-2-[2-(9,9-dimethyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine?
4-[(E)-2-[2-(9,9-dimethyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine has a molecular weight of 560.79 g/mol, XLogP of 11.04, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[2-(9,9-dimethyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine is sourced from PubChem (CID 135192857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).