4'-[4-(4-tert-butylphenyl)-2-methylphenyl]-2'-ethenyl-5'-methyl-1'-[(Z)-prop-1-enyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene]

C44H44 — CID 145204013

IUPAC4'-[4-(4-tert-butylphenyl)-2-methylphenyl]-2'-ethenyl-5'-methyl-1'-[(Z)-prop-1-enyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene]
SMILESC=CC1=C(/C=C\C)C2=C(C(c3ccc(-c4ccc(C(C)(C)C)cc4)cc3C)C(C)C=C2)C12C1=C(C=CCC1)c1ccccc12
InChIInChI=1S/C44H44/c1-8-14-34-37-25-19-28(3)41(33-26-22-31(27-29(33)4)30-20-23-32(24-21-30)43(5,6)7)42(37)44(38(34)9-2)39-17-12-10-15-35(39)36-16-11-13-18-40(36)44/h8-12,14-17,19-28,41H,2,13,18H2,1,3-7H3/b14-8-
InChIKeyNEDKTOWBDBGNRQ-ZSOIEALJSA-N
MW572.84 g/mol
LogP11.67
Rot. Bonds4

About 4'-[4-(4-tert-butylphenyl)-2-methylphenyl]-2'-ethenyl-5'-methyl-1'-[(Z)-prop-1-enyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene]

4'-[4-(4-tert-butylphenyl)-2-methylphenyl]-2'-ethenyl-5'-methyl-1'-[(Z)-prop-1-enyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene] (PubChem CID 145204013) has the molecular formula C44H44 and a molecular weight of 572.84 g/mol. Its IUPAC name is 4'-[4-(4-tert-butylphenyl)-2-methylphenyl]-2'-ethenyl-5'-methyl-1'-[(Z)-prop-1-enyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene].

Molecular Properties

Compound Name4'-[4-(4-tert-butylphenyl)-2-methylphenyl]-2'-ethenyl-5'-methyl-1'-[(Z)-prop-1-enyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene]
PubChem CID145204013
Molecular FormulaC44H44
Molecular Weight572.84 g/mol
Exact Mass572.34
IUPAC Name4'-[4-(4-tert-butylphenyl)-2-methylphenyl]-2'-ethenyl-5'-methyl-1'-[(Z)-prop-1-enyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene]
SMILESC=CC1=C(/C=C\C)C2=C(C(c3ccc(-c4ccc(C(C)(C)C)cc4)cc3C)C(C)C=C2)C12C1=C(C=CCC1)c1ccccc12
InChIInChI=1S/C44H44/c1-8-14-34-37-25-19-28(3)41(33-26-22-31(27-29(33)4)30-20-23-32(24-21-30)43(5,6)7)42(37)44(38(34)9-2)39-17-12-10-15-35(39)36-16-11-13-18-40(36)44/h8-12,14-17,19-28,41H,2,13,18H2,1,3-7H3/b14-8-
InChIKeyNEDKTOWBDBGNRQ-ZSOIEALJSA-N
XLogP11.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.84
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4'-[4-(4-tert-butylphenyl)-2-methylphenyl]-2'-ethenyl-5'-methyl-1'-[(Z)-prop-1-enyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene] with MolForge

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Related Compounds

CID 146536817
CID 146536817
butane;cyclohexa-1,5-dien-1-ylbenzene;2-ethenyl-1-[2-methyl-4-(3-methylphenyl)phenyl]-1-(2-methylphenyl)-3-[(Z)-prop-1-enyl]indene;(Z)-1-(4-phenylphenyl)but-1-ene-1-thiol
CID 142469832
9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-9-(4-methylphenyl)fluorene
CID 145328119
2',7'-ditert-butylspiro[3H-cyclopenta[a]indene-4,9'-fluorene]
CID 156896533
2'-(4-methylphenyl)spiro[1,2,5,6-tetrahydrofluorene-9,9'-fluorene]
CID 142508879
2',3'-bis(ethenyl)-2-(4-methylphenyl)spiro[fluorene-9,1'-indene];methane
CID 143486387
2-[(1Z)-buta-1,3-dienyl]-2'-ethenyl-3-methyl-3'-[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 142597844
9-[4-[2,3-bis(ethenyl)-1-methylinden-1-yl]-3-ethenyl-2-[(Z)-prop-1-enyl]-7,8-dihydronaphthalen-1-yl]-9-methylfluorene
CID 169131024
N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 166861507
9-[4-[2,3-bis(ethenyl)-1-methylinden-1-yl]-3-ethenyl-2-[(Z)-prop-1-enyl]-7,8-dihydronaphthalen-1-yl]-9-methylfluorene;methane
CID 169131023
1'-[(Z)-but-1-enyl]-2'-[4-(4-chlorophenyl)phenyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene]
CID 166825100
ethane;3-[2-[[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]methyl]phenyl]-9,9-dimethyl-1,2-dihydrofluorene;9-methyl-3-(4-methylphenyl)-9H-fluorene
CID 156827092

Frequently Asked Questions

What is the IUPAC name of 4'-[4-(4-tert-butylphenyl)-2-methylphenyl]-2'-ethenyl-5'-methyl-1'-[(Z)-prop-1-enyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene]?
The IUPAC name of 4'-[4-(4-tert-butylphenyl)-2-methylphenyl]-2'-ethenyl-5'-methyl-1'-[(Z)-prop-1-enyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene] (CID 145204013) is 4'-[4-(4-tert-butylphenyl)-2-methylphenyl]-2'-ethenyl-5'-methyl-1'-[(Z)-prop-1-enyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene].
What is the SMILES notation for 4'-[4-(4-tert-butylphenyl)-2-methylphenyl]-2'-ethenyl-5'-methyl-1'-[(Z)-prop-1-enyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene]?
The canonical SMILES for 4'-[4-(4-tert-butylphenyl)-2-methylphenyl]-2'-ethenyl-5'-methyl-1'-[(Z)-prop-1-enyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene] is C=CC1=C(/C=C\C)C2=C(C(c3ccc(-c4ccc(C(C)(C)C)cc4)cc3C)C(C)C=C2)C12C1=C(C=CCC1)c1ccccc12.
What is the InChIKey of 4'-[4-(4-tert-butylphenyl)-2-methylphenyl]-2'-ethenyl-5'-methyl-1'-[(Z)-prop-1-enyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene]?
The InChIKey is NEDKTOWBDBGNRQ-ZSOIEALJSA-N. The full InChI is InChI=1S/C44H44/c1-8-14-34-37-25-19-28(3)41(33-26-22-31(27-29(33)4)30-20-23-32(24-21-30)43(5,6)7)42(37)44(38(34)9-2)39-17-12-10-15-35(39)36-16-11-13-18-40(36)44/h8-12,14-17,19-28,41H,2,13,18H2,1,3-7H3/b14-8-.
What are the key properties of 4'-[4-(4-tert-butylphenyl)-2-methylphenyl]-2'-ethenyl-5'-methyl-1'-[(Z)-prop-1-enyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene]?
4'-[4-(4-tert-butylphenyl)-2-methylphenyl]-2'-ethenyl-5'-methyl-1'-[(Z)-prop-1-enyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene] has a molecular weight of 572.84 g/mol, XLogP of 11.67, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-[4-(4-tert-butylphenyl)-2-methylphenyl]-2'-ethenyl-5'-methyl-1'-[(Z)-prop-1-enyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene] is sourced from PubChem (CID 145204013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).