butane;6-[(2E,4E)-5-[10-[(2E,4Z,8Z,10Z)-6,12-dimethyl-7-methylidenetetradeca-2,4,8,10-tetraen-3-yl]-2-naphthalen-2-yl-6-phenylanthracen-9-yl]hepta-2,4,6-trien-2-yl]-1-methyl-2H-pyridine;ethane;ethene

C72H91N — CID 143516194

IUPACbutane;6-[(2E,4E)-5-[10-[(2E,4Z,8Z,10Z)-6,12-dimethyl-7-methylidenetetradeca-2,4,8,10-tetraen-3-yl]-2-naphthalen-2-yl-6-phenylanthracen-9-yl]hepta-2,4,6-trien-2-yl]-1-methyl-2H-pyridine;ethane;ethene
SMILESC=C.C=C/C(=C\C=C(/C)C1=CC=CCN1C)c1c2cc(-c3ccc4ccccc4c3)ccc2c(C(/C=C\C(C)C(=C)/C=C\C=C/C(C)CC)=C/C)c2cc(-c3ccccc3)ccc12.CC.CC.CC.CCCC
InChIInChI=1S/C60H59N.C4H10.3C2H6.C2H4/c1-9-42(4)21-15-16-22-43(5)44(6)28-30-46(10-2)59-55-37-35-53(51-33-32-49-25-17-18-26-50(49)39-51)41-57(55)60(47(11-3)31-29-45(7)58-27-19-20-38-61(58)8)54-36-34-52(40-56(54)59)48-23-13-12-14-24-48;1-3-4-2;4*1-2/h10-37,39-42,44H,3,5,9,38H2,1-2,4,6-8H3;3-4H2,1-2H3;3*1-2H3;1-2H2/b21-15-,22-16-,30-28-,45-29+,46-10+,47-31+;;;;;
InChIKeyDMOQXOFDVGUWJT-VOOHPVNGSA-N
MW970.53 g/mol
LogP22.38
Rot. Bonds15

About butane;6-[(2E,4E)-5-[10-[(2E,4Z,8Z,10Z)-6,12-dimethyl-7-methylidenetetradeca-2,4,8,10-tetraen-3-yl]-2-naphthalen-2-yl-6-phenylanthracen-9-yl]hepta-2,4,6-trien-2-yl]-1-methyl-2H-pyridine;ethane;ethene

butane;6-[(2E,4E)-5-[10-[(2E,4Z,8Z,10Z)-6,12-dimethyl-7-methylidenetetradeca-2,4,8,10-tetraen-3-yl]-2-naphthalen-2-yl-6-phenylanthracen-9-yl]hepta-2,4,6-trien-2-yl]-1-methyl-2H-pyridine;ethane;ethene (PubChem CID 143516194) has the molecular formula C72H91N and a molecular weight of 970.53 g/mol. Its IUPAC name is butane;6-[(2E,4E)-5-[10-[(2E,4Z,8Z,10Z)-6,12-dimethyl-7-methylidenetetradeca-2,4,8,10-tetraen-3-yl]-2-naphthalen-2-yl-6-phenylanthracen-9-yl]hepta-2,4,6-trien-2-yl]-1-methyl-2H-pyridine;ethane;ethene.

Molecular Properties

Compound Namebutane;6-[(2E,4E)-5-[10-[(2E,4Z,8Z,10Z)-6,12-dimethyl-7-methylidenetetradeca-2,4,8,10-tetraen-3-yl]-2-naphthalen-2-yl-6-phenylanthracen-9-yl]hepta-2,4,6-trien-2-yl]-1-methyl-2H-pyridine;ethane;ethene
PubChem CID143516194
Molecular FormulaC72H91N
Molecular Weight970.53 g/mol
Exact Mass969.72
IUPAC Namebutane;6-[(2E,4E)-5-[10-[(2E,4Z,8Z,10Z)-6,12-dimethyl-7-methylidenetetradeca-2,4,8,10-tetraen-3-yl]-2-naphthalen-2-yl-6-phenylanthracen-9-yl]hepta-2,4,6-trien-2-yl]-1-methyl-2H-pyridine;ethane;ethene
SMILESC=C.C=C/C(=C\C=C(/C)C1=CC=CCN1C)c1c2cc(-c3ccc4ccccc4c3)ccc2c(C(/C=C\C(C)C(=C)/C=C\C=C/C(C)CC)=C/C)c2cc(-c3ccccc3)ccc12.CC.CC.CC.CCCC
InChIInChI=1S/C60H59N.C4H10.3C2H6.C2H4/c1-9-42(4)21-15-16-22-43(5)44(6)28-30-46(10-2)59-55-37-35-53(51-33-32-49-25-17-18-26-50(49)39-51)41-57(55)60(47(11-3)31-29-45(7)58-27-19-20-38-61(58)8)54-36-34-52(40-56(54)59)48-23-13-12-14-24-48;1-3-4-2;4*1-2/h10-37,39-42,44H,3,5,9,38H2,1-2,4,6-8H3;3-4H2,1-2H3;3*1-2H3;1-2H2/b21-15-,22-16-,30-28-,45-29+,46-10+,47-31+;;;;;
InChIKeyDMOQXOFDVGUWJT-VOOHPVNGSA-N
XLogP22.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500970.53
LogP ≤ 522.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze butane;6-[(2E,4E)-5-[10-[(2E,4Z,8Z,10Z)-6,12-dimethyl-7-methylidenetetradeca-2,4,8,10-tetraen-3-yl]-2-naphthalen-2-yl-6-phenylanthracen-9-yl]hepta-2,4,6-trien-2-yl]-1-methyl-2H-pyridine;ethane;ethene with MolForge

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Related Compounds

2-benzyl-10-[(3E,5E)-6-phenylhepta-1,3,5-trien-3-yl]-9-(4-phenylphenyl)anthracene;ethane
CID 143575842
3-(6-naphthalen-2-ylnaphthalen-2-yl)-9-phenylchrysene
CID 123868192
ethane;2-naphthalen-2-ylnaphthalene;bis(prop-1-ene)
CID 144938631
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]phenyl]-4-phenanthren-2-ylaniline;ethane;ethene;(3Z)-hexa-1,3,5-trien-2-ol;prop-1-ene
CID 145242742
12-cyclohexa-1,3-dien-1-yl-5-[(3Z)-hexa-1,3,5-trien-2-yl]-3-phenylbenzo[10]annulene;1-ethylcyclohexa-1,3-diene;5-[(3Z)-hexa-1,3,5-trien-2-yl]-3-phenylbenzo[10]annulene
CID 160843548
2-methyl-9-[(3R,4E,6Z)-3-methyldeca-1,4,6,9-tetraen-5-yl]-10-naphthalen-2-ylanthracene
CID 171844791
9-[(3E,5E)-6-(2,3,4,5,6-pentafluorophenyl)hepta-1,3,5-trien-3-yl]-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene
CID 143619815
2-[6-(10-naphthalen-2-ylanthracen-9-yl)hepta-1,3,5-trien-3-yl]-1-phenylbenzimidazole
CID 123428890
8-[(2Z,4E)-hepta-2,4-dien-4-yl]-9-[(3E)-hexa-1,3,5-trien-3-yl]-7-naphthalen-1-yl-10-naphthalen-2-ylfluoranthene
CID 143743108
10-[(3Z,7Z)-8-[2-[(1Z)-buta-1,3-dienyl]phenyl]-5,6-dimethylideneocta-1,3,7-trien-2-yl]-9-naphthalen-2-yl-2-phenylanthracene
CID 58194233
1-ethenyl-6-naphthalen-2-yl-2H-pyridine
CID 69202048
2-phenyl-6-[2-(4-prop-1-en-2-ylphenyl)ethyl]naphthalene
CID 58428339

Frequently Asked Questions

What is the IUPAC name of butane;6-[(2E,4E)-5-[10-[(2E,4Z,8Z,10Z)-6,12-dimethyl-7-methylidenetetradeca-2,4,8,10-tetraen-3-yl]-2-naphthalen-2-yl-6-phenylanthracen-9-yl]hepta-2,4,6-trien-2-yl]-1-methyl-2H-pyridine;ethane;ethene?
The IUPAC name of butane;6-[(2E,4E)-5-[10-[(2E,4Z,8Z,10Z)-6,12-dimethyl-7-methylidenetetradeca-2,4,8,10-tetraen-3-yl]-2-naphthalen-2-yl-6-phenylanthracen-9-yl]hepta-2,4,6-trien-2-yl]-1-methyl-2H-pyridine;ethane;ethene (CID 143516194) is butane;6-[(2E,4E)-5-[10-[(2E,4Z,8Z,10Z)-6,12-dimethyl-7-methylidenetetradeca-2,4,8,10-tetraen-3-yl]-2-naphthalen-2-yl-6-phenylanthracen-9-yl]hepta-2,4,6-trien-2-yl]-1-methyl-2H-pyridine;ethane;ethene.
What is the SMILES notation for butane;6-[(2E,4E)-5-[10-[(2E,4Z,8Z,10Z)-6,12-dimethyl-7-methylidenetetradeca-2,4,8,10-tetraen-3-yl]-2-naphthalen-2-yl-6-phenylanthracen-9-yl]hepta-2,4,6-trien-2-yl]-1-methyl-2H-pyridine;ethane;ethene?
The canonical SMILES for butane;6-[(2E,4E)-5-[10-[(2E,4Z,8Z,10Z)-6,12-dimethyl-7-methylidenetetradeca-2,4,8,10-tetraen-3-yl]-2-naphthalen-2-yl-6-phenylanthracen-9-yl]hepta-2,4,6-trien-2-yl]-1-methyl-2H-pyridine;ethane;ethene is C=C.C=C/C(=C\C=C(/C)C1=CC=CCN1C)c1c2cc(-c3ccc4ccccc4c3)ccc2c(C(/C=C\C(C)C(=C)/C=C\C=C/C(C)CC)=C/C)c2cc(-c3ccccc3)ccc12.CC.CC.CC.CCCC.
What is the InChIKey of butane;6-[(2E,4E)-5-[10-[(2E,4Z,8Z,10Z)-6,12-dimethyl-7-methylidenetetradeca-2,4,8,10-tetraen-3-yl]-2-naphthalen-2-yl-6-phenylanthracen-9-yl]hepta-2,4,6-trien-2-yl]-1-methyl-2H-pyridine;ethane;ethene?
The InChIKey is DMOQXOFDVGUWJT-VOOHPVNGSA-N. The full InChI is InChI=1S/C60H59N.C4H10.3C2H6.C2H4/c1-9-42(4)21-15-16-22-43(5)44(6)28-30-46(10-2)59-55-37-35-53(51-33-32-49-25-17-18-26-50(49)39-51)41-57(55)60(47(11-3)31-29-45(7)58-27-19-20-38-61(58)8)54-36-34-52(40-56(54)59)48-23-13-12-14-24-48;1-3-4-2;4*1-2/h10-37,39-42,44H,3,5,9,38H2,1-2,4,6-8H3;3-4H2,1-2H3;3*1-2H3;1-2H2/b21-15-,22-16-,30-28-,45-29+,46-10+,47-31+;;;;;.
What are the key properties of butane;6-[(2E,4E)-5-[10-[(2E,4Z,8Z,10Z)-6,12-dimethyl-7-methylidenetetradeca-2,4,8,10-tetraen-3-yl]-2-naphthalen-2-yl-6-phenylanthracen-9-yl]hepta-2,4,6-trien-2-yl]-1-methyl-2H-pyridine;ethane;ethene?
butane;6-[(2E,4E)-5-[10-[(2E,4Z,8Z,10Z)-6,12-dimethyl-7-methylidenetetradeca-2,4,8,10-tetraen-3-yl]-2-naphthalen-2-yl-6-phenylanthracen-9-yl]hepta-2,4,6-trien-2-yl]-1-methyl-2H-pyridine;ethane;ethene has a molecular weight of 970.53 g/mol, XLogP of 22.38, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;6-[(2E,4E)-5-[10-[(2E,4Z,8Z,10Z)-6,12-dimethyl-7-methylidenetetradeca-2,4,8,10-tetraen-3-yl]-2-naphthalen-2-yl-6-phenylanthracen-9-yl]hepta-2,4,6-trien-2-yl]-1-methyl-2H-pyridine;ethane;ethene is sourced from PubChem (CID 143516194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).