ethane;9-(4-methoxyphenyl)-2,7-bis(2-methylbutan-2-yl)-9-prop-1-en-2-ylfluorene;prop-1-ene

C38H52O — CID 143642284

IUPACethane;9-(4-methoxyphenyl)-2,7-bis(2-methylbutan-2-yl)-9-prop-1-en-2-ylfluorene;prop-1-ene
SMILESC=C(C)C1(c2ccc(OC)cc2)c2cc(C(C)(C)CC)ccc2-c2ccc(C(C)(C)CC)cc21.C=CC.CC
InChIInChI=1S/C33H40O.C3H6.C2H6/c1-10-31(5,6)24-14-18-27-28-19-15-25(32(7,8)11-2)21-30(28)33(22(3)4,29(27)20-24)23-12-16-26(34-9)17-13-23;1-3-2;1-2/h12-21H,3,10-11H2,1-2,4-9H3;3H,1H2,2H3;1-2H3
InChIKeyQLHHWYGLQUKVCB-UHFFFAOYSA-N
MW524.83 g/mol
LogP11.18
Rot. Bonds7

About ethane;9-(4-methoxyphenyl)-2,7-bis(2-methylbutan-2-yl)-9-prop-1-en-2-ylfluorene;prop-1-ene

ethane;9-(4-methoxyphenyl)-2,7-bis(2-methylbutan-2-yl)-9-prop-1-en-2-ylfluorene;prop-1-ene (PubChem CID 143642284) has the molecular formula C38H52O and a molecular weight of 524.83 g/mol. Its IUPAC name is ethane;9-(4-methoxyphenyl)-2,7-bis(2-methylbutan-2-yl)-9-prop-1-en-2-ylfluorene;prop-1-ene.

Molecular Properties

Compound Nameethane;9-(4-methoxyphenyl)-2,7-bis(2-methylbutan-2-yl)-9-prop-1-en-2-ylfluorene;prop-1-ene
PubChem CID143642284
Molecular FormulaC38H52O
Molecular Weight524.83 g/mol
Exact Mass524.40
IUPAC Nameethane;9-(4-methoxyphenyl)-2,7-bis(2-methylbutan-2-yl)-9-prop-1-en-2-ylfluorene;prop-1-ene
SMILESC=C(C)C1(c2ccc(OC)cc2)c2cc(C(C)(C)CC)ccc2-c2ccc(C(C)(C)CC)cc21.C=CC.CC
InChIInChI=1S/C33H40O.C3H6.C2H6/c1-10-31(5,6)24-14-18-27-28-19-15-25(32(7,8)11-2)21-30(28)33(22(3)4,29(27)20-24)23-12-16-26(34-9)17-13-23;1-3-2;1-2/h12-21H,3,10-11H2,1-2,4-9H3;3H,1H2,2H3;1-2H3
InChIKeyQLHHWYGLQUKVCB-UHFFFAOYSA-N
XLogP11.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.83
LogP ≤ 511.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

9,9-dimethyl-2,7-bis(2-methylbutan-2-yl)fluorene
CID 143017257
9-(3,4-dimethylphenyl)-9-(4-methoxy-3-methylphenyl)-2,7-bis(2-methylbutan-2-yl)fluorene
CID 163998765
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
buta-1,3-diene;(Z)-but-2-ene;ethane;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene
CID 144595651
[4-(2-methylbutan-2-yl)phenyl] 4-methoxybenzoate
CID 23010917
1-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]cyclopropane-1-carboxylic acid
CID 117410551
3-ethyl-3-methyl-5-(2-methylbutan-2-yl)-2H-inden-1-one
CID 154721544
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-4-[2-(4-methoxyphenyl)butan-2-yl]benzene
CID 143671563
2-(1-bromoethyl)-9,9-dimethyl-7-(2-methylbutan-2-yl)fluorene
CID 90463480
4-[2-(4-methoxyphenyl)butan-2-yl]phenol
CID 57308830
(4-ethenylphenyl)-bis(4-methoxyphenyl)methanol
CID 101342310
[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-[4-(3-methylpentan-3-yl)phenyl]methanone
CID 71000391

Frequently Asked Questions

What is the IUPAC name of ethane;9-(4-methoxyphenyl)-2,7-bis(2-methylbutan-2-yl)-9-prop-1-en-2-ylfluorene;prop-1-ene?
The IUPAC name of ethane;9-(4-methoxyphenyl)-2,7-bis(2-methylbutan-2-yl)-9-prop-1-en-2-ylfluorene;prop-1-ene (CID 143642284) is ethane;9-(4-methoxyphenyl)-2,7-bis(2-methylbutan-2-yl)-9-prop-1-en-2-ylfluorene;prop-1-ene.
What is the SMILES notation for ethane;9-(4-methoxyphenyl)-2,7-bis(2-methylbutan-2-yl)-9-prop-1-en-2-ylfluorene;prop-1-ene?
The canonical SMILES for ethane;9-(4-methoxyphenyl)-2,7-bis(2-methylbutan-2-yl)-9-prop-1-en-2-ylfluorene;prop-1-ene is C=C(C)C1(c2ccc(OC)cc2)c2cc(C(C)(C)CC)ccc2-c2ccc(C(C)(C)CC)cc21.C=CC.CC.
What is the InChIKey of ethane;9-(4-methoxyphenyl)-2,7-bis(2-methylbutan-2-yl)-9-prop-1-en-2-ylfluorene;prop-1-ene?
The InChIKey is QLHHWYGLQUKVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40O.C3H6.C2H6/c1-10-31(5,6)24-14-18-27-28-19-15-25(32(7,8)11-2)21-30(28)33(22(3)4,29(27)20-24)23-12-16-26(34-9)17-13-23;1-3-2;1-2/h12-21H,3,10-11H2,1-2,4-9H3;3H,1H2,2H3;1-2H3.
What are the key properties of ethane;9-(4-methoxyphenyl)-2,7-bis(2-methylbutan-2-yl)-9-prop-1-en-2-ylfluorene;prop-1-ene?
ethane;9-(4-methoxyphenyl)-2,7-bis(2-methylbutan-2-yl)-9-prop-1-en-2-ylfluorene;prop-1-ene has a molecular weight of 524.83 g/mol, XLogP of 11.18, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-(4-methoxyphenyl)-2,7-bis(2-methylbutan-2-yl)-9-prop-1-en-2-ylfluorene;prop-1-ene is sourced from PubChem (CID 143642284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).