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

C67H66 — CID 145204019

IUPACbutane;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
SMILESC=CC1=C(/C=C\C)C2(c3ccccc31)c1ccccc1-c1c(C)cccc12.CC1=CCC(c2cccc3ccccc23)C=C1.CCCC.Cc1ccc2c3c(c4c(c2c1)C=CCC4)CCC=C3
InChIInChI=1S/C27H22.C19H18.C17H16.C4H10/c1-4-11-22-19(5-2)20-13-6-8-15-23(20)27(22)24-16-9-7-14-21(24)26-18(3)12-10-17-25(26)27;1-13-10-11-18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19(18)12-13;1-13-9-11-15(12-10-13)17-8-4-6-14-5-2-3-7-16(14)17;1-3-4-2/h4-17H,2H2,1,3H3;3,5,8-12H,2,4,6-7H2,1H3;2-11,15H,12H2,1H3;3-4H2,1-2H3/b11-4-;;;
InChIKeyGWIGDZIAFKRMTN-KJAZLZTCSA-N
MW871.27 g/mol
LogP18.54
Rot. Bonds4

About 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

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 (PubChem CID 145204019) has the molecular formula C67H66 and a molecular weight of 871.27 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebutane;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
PubChem CID145204019
Molecular FormulaC67H66
Molecular Weight871.27 g/mol
Exact Mass870.52
IUPAC Namebutane;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
SMILESC=CC1=C(/C=C\C)C2(c3ccccc31)c1ccccc1-c1c(C)cccc12.CC1=CCC(c2cccc3ccccc23)C=C1.CCCC.Cc1ccc2c3c(c4c(c2c1)C=CCC4)CCC=C3
InChIInChI=1S/C27H22.C19H18.C17H16.C4H10/c1-4-11-22-19(5-2)20-13-6-8-15-23(20)27(22)24-16-9-7-14-21(24)26-18(3)12-10-17-25(26)27;1-13-10-11-18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19(18)12-13;1-13-9-11-15(12-10-13)17-8-4-6-14-5-2-3-7-16(14)17;1-3-4-2/h4-17H,2H2,1,3H3;3,5,8-12H,2,4,6-7H2,1H3;2-11,15H,12H2,1H3;3-4H2,1-2H3/b11-4-;;;
InChIKeyGWIGDZIAFKRMTN-KJAZLZTCSA-N
XLogP18.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.27
LogP ≤ 518.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Related Compounds

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
ethane;(4-methylcyclohexa-2,4-dien-1-yl)benzene;2'-[4-(4-methylphenyl)phenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene];6-methyl-1,2,11,12-tetrahydrotriphenylene;propane
CID 145204090
3'-ethenyl-5-methyl-2'-[(Z)-prop-1-enyl]spiro[hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-25,1'-indene]
CID 145353205
3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]
CID 144911605
2',3,3'-tris(ethenyl)-5-methyl-2-[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145301502
3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145204058
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-[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
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
(2E,3Z)-3'-ethenyl-2-ethylidene-6'-methyl-2'-[(Z)-prop-1-enyl]-3-propylidene-1,1'-spirobi[indene]
CID 144569336
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
6-methyl-1,2-dihydrotriphenylene
CID 123255484

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC1=C(/C=C\C)C2(c3ccccc31)c1ccccc1-c1c(C)cccc12.CC1=CCC(c2cccc3ccccc23)C=C1.CCCC.Cc1ccc2c3c(c4c(c2c1)C=CCC4)CCC=C3.
What is the InChIKey of 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?
The InChIKey is GWIGDZIAFKRMTN-KJAZLZTCSA-N. The full InChI is InChI=1S/C27H22.C19H18.C17H16.C4H10/c1-4-11-22-19(5-2)20-13-6-8-15-23(20)27(22)24-16-9-7-14-21(24)26-18(3)12-10-17-25(26)27;1-13-10-11-18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19(18)12-13;1-13-9-11-15(12-10-13)17-8-4-6-14-5-2-3-7-16(14)17;1-3-4-2/h4-17H,2H2,1,3H3;3,5,8-12H,2,4,6-7H2,1H3;2-11,15H,12H2,1H3;3-4H2,1-2H3/b11-4-;;;.
What are the key properties of 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?
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 has a molecular weight of 871.27 g/mol, XLogP of 18.54, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 145204019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).