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

C44H42 — CID 169131023

IUPAC9-[4-[2,3-bis(ethenyl)-1-methylinden-1-yl]-3-ethenyl-2-[(Z)-prop-1-enyl]-7,8-dihydronaphthalen-1-yl]-9-methylfluorene;methane
SMILESC.C=CC1=C(C=C)C(C)(c2c(C=C)c(/C=C\C)c(C3(C)c4ccccc4-c4ccccc43)c3c2C=CCC3)c2ccccc21
InChIInChI=1S/C43H38.CH4/c1-7-19-33-29(9-3)40(42(5)36(10-4)28(8-2)30-20-13-16-25-37(30)42)34-23-11-12-24-35(34)41(33)43(6)38-26-17-14-21-31(38)32-22-15-18-27-39(32)43;/h7-11,13-23,25-27H,2-4,12,24H2,1,5-6H3;1H4/b19-7-;
InChIKeyPVPWJIJJZZXGFF-LICXOGMASA-N
MW570.82 g/mol
LogP11.74
Rot. Bonds6

About 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

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 (PubChem CID 169131023) has the molecular formula C44H42 and a molecular weight of 570.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[4-[2,3-bis(ethenyl)-1-methylinden-1-yl]-3-ethenyl-2-[(Z)-prop-1-enyl]-7,8-dihydronaphthalen-1-yl]-9-methylfluorene;methane
PubChem CID169131023
Molecular FormulaC44H42
Molecular Weight570.82 g/mol
Exact Mass570.33
IUPAC Name9-[4-[2,3-bis(ethenyl)-1-methylinden-1-yl]-3-ethenyl-2-[(Z)-prop-1-enyl]-7,8-dihydronaphthalen-1-yl]-9-methylfluorene;methane
SMILESC.C=CC1=C(C=C)C(C)(c2c(C=C)c(/C=C\C)c(C3(C)c4ccccc4-c4ccccc43)c3c2C=CCC3)c2ccccc21
InChIInChI=1S/C43H38.CH4/c1-7-19-33-29(9-3)40(42(5)36(10-4)28(8-2)30-20-13-16-25-37(30)42)34-23-11-12-24-35(34)41(33)43(6)38-26-17-14-21-31(38)32-22-15-18-27-39(32)43;/h7-11,13-23,25-27H,2-4,12,24H2,1,5-6H3;1H4/b19-7-;
InChIKeyPVPWJIJJZZXGFF-LICXOGMASA-N
XLogP11.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.82
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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
3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145204058
butane;1,2-dimethyl-3-(2-methylphenyl)benzene;ethane;3'-ethenyl-3-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene];6-methyl-1,2,11,12-tetrahydrotriphenylene;propane
CID 145204048
2,3-bis(ethenyl)-1,1-dimethylindene
CID 123900265
3'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[cyclopentane-1,1'-indene]
CID 143984015
butane;3'-ethenyl-4-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene];1-(4-methylcyclohexa-2,4-dien-1-yl)naphthalene;6-methyl-1,2,11,12-tetrahydrotriphenylene
CID 145204019
2-ethenyl-1-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene
CID 177033619
2-[10'-ethenyl-9'-[(Z)-prop-1-enyl]spiro[fluorene-9,8'-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,9,12-hexaene]-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 145092830
2,3-bis(ethenyl)-1,1-diethylindene
CID 145133718
2',3,3'-tris(ethenyl)-5-methyl-2-[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145301502
3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]
CID 144911605
2-(7,8-dihydrophenanthren-9-yl)-6-[4-ethenyl-3-[(Z)-prop-1-enyl]naphthalen-2-yl]-4-phenanthren-9-yl-5,6-dihydrobenzo[h]quinoline
CID 89016711

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C=CC1=C(C=C)C(C)(c2c(C=C)c(/C=C\C)c(C3(C)c4ccccc4-c4ccccc43)c3c2C=CCC3)c2ccccc21.
What is the InChIKey of 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?
The InChIKey is PVPWJIJJZZXGFF-LICXOGMASA-N. The full InChI is InChI=1S/C43H38.CH4/c1-7-19-33-29(9-3)40(42(5)36(10-4)28(8-2)30-20-13-16-25-37(30)42)34-23-11-12-24-35(34)41(33)43(6)38-26-17-14-21-31(38)32-22-15-18-27-39(32)43;/h7-11,13-23,25-27H,2-4,12,24H2,1,5-6H3;1H4/b19-7-;.
What are the key properties of 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?
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 has a molecular weight of 570.82 g/mol, XLogP of 11.74, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169131023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).