11-pent-2-enylidene-6,6,16,16-tetraphenyloctacyclo[20.6.2.02,17.03,15.05,13.07,12.019,29.026,30]triaconta-1(29),2(17),3,5(13),7(12),8,14,18,20,22(30),23,25,27-tridecaene

C59H42 — CID 91259088

IUPAC11-pent-2-enylidene-6,6,16,16-tetraphenyloctacyclo[20.6.2.02,17.03,15.05,13.07,12.019,29.026,30]triaconta-1(29),2(17),3,5(13),7(12),8,14,18,20,22(30),23,25,27-tridecaene
SMILESCCC=CC=C1CC=CC2=C1c1cc3c(cc1C2(c1ccccc1)c1ccccc1)-c1c(cc2ccc4cccc5ccc1c2c45)C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C59H42/c1-2-3-8-19-39-22-18-31-50-55(39)48-37-52-49(38-51(48)58(50,43-23-9-4-10-24-43)44-25-11-5-12-26-44)57-47-35-34-41-21-17-20-40-32-33-42(56(47)54(40)41)36-53(57)59(52,45-27-13-6-14-28-45)46-29-15-7-16-30-46/h3-21,23-38H,2,22H2,1H3
InChIKeyUXFZLZKELDZVSE-UHFFFAOYSA-N
MW750.99 g/mol
LogP14.90
Rot. Bonds6

About 11-pent-2-enylidene-6,6,16,16-tetraphenyloctacyclo[20.6.2.02,17.03,15.05,13.07,12.019,29.026,30]triaconta-1(29),2(17),3,5(13),7(12),8,14,18,20,22(30),23,25,27-tridecaene

11-pent-2-enylidene-6,6,16,16-tetraphenyloctacyclo[20.6.2.02,17.03,15.05,13.07,12.019,29.026,30]triaconta-1(29),2(17),3,5(13),7(12),8,14,18,20,22(30),23,25,27-tridecaene (PubChem CID 91259088) has the molecular formula C59H42 and a molecular weight of 750.99 g/mol. Its IUPAC name is 11-pent-2-enylidene-6,6,16,16-tetraphenyloctacyclo[20.6.2.02,17.03,15.05,13.07,12.019,29.026,30]triaconta-1(29),2(17),3,5(13),7(12),8,14,18,20,22(30),23,25,27-tridecaene.

Molecular Properties

Compound Name11-pent-2-enylidene-6,6,16,16-tetraphenyloctacyclo[20.6.2.02,17.03,15.05,13.07,12.019,29.026,30]triaconta-1(29),2(17),3,5(13),7(12),8,14,18,20,22(30),23,25,27-tridecaene
PubChem CID91259088
Molecular FormulaC59H42
Molecular Weight750.99 g/mol
Exact Mass750.33
IUPAC Name11-pent-2-enylidene-6,6,16,16-tetraphenyloctacyclo[20.6.2.02,17.03,15.05,13.07,12.019,29.026,30]triaconta-1(29),2(17),3,5(13),7(12),8,14,18,20,22(30),23,25,27-tridecaene
SMILESCCC=CC=C1CC=CC2=C1c1cc3c(cc1C2(c1ccccc1)c1ccccc1)-c1c(cc2ccc4cccc5ccc1c2c45)C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C59H42/c1-2-3-8-19-39-22-18-31-50-55(39)48-37-52-49(38-51(48)58(50,43-23-9-4-10-24-43)44-25-11-5-12-26-44)57-47-35-34-41-21-17-20-40-32-33-42(56(47)54(40)41)36-53(57)59(52,45-27-13-6-14-28-45)46-29-15-7-16-30-46/h3-21,23-38H,2,22H2,1H3
InChIKeyUXFZLZKELDZVSE-UHFFFAOYSA-N
XLogP14.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.99
LogP ≤ 514.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 11-pent-2-enylidene-6,6,16,16-tetraphenyloctacyclo[20.6.2.02,17.03,15.05,13.07,12.019,29.026,30]triaconta-1(29),2(17),3,5(13),7(12),8,14,18,20,22(30),23,25,27-tridecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(5-methylcyclohexa-1,3-dien-1-yl)-6,20,20-triphenylnonacyclo[24.6.2.02,21.03,19.05,17.07,16.010,15.023,33.030,34]tetratriaconta-1(33),2(21),3(19),4,7(16),8,10,12,14,17,22,24,26(34),27,29,31-hexadecaene
CID 143932339
6,16-dinaphthalen-2-yl-9,9-diphenylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;hexane
CID 144772560
7,7-diphenylbenzo[g]fluoren-9-amine
CID 134361009
11-N',11-N',17-N',17-N'-tetrakis(4-methylphenyl)spiro[hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130462752
9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
CID 58219949
4,4,5,5-tetramethyl-2-[17'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11'-yl]-1,3,2-dioxaborolane
CID 153279811
15-(4-cyclohexa-1,5-dien-1-ylphenyl)-5,5,15-tris(4-phenylphenyl)heptacyclo[14.12.0.02,14.04,12.06,11.019,28.021,26]octacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,25,27-tridecaene
CID 143607830
2-phenyl-4-(4-phenylphenyl)-6-spiro[hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
CID 134574301
5,9-dinaphthalen-2-yl-7,7-diphenylbenzo[c]fluorene;ethene;propane
CID 144772565
2-(7,7-diphenylbenzo[g]fluoren-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123985149
12-methyl-16,16-diphenyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene;24-methyl-9,9-diphenyl-24-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene
CID 144919780
9-(10-naphthalen-1-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene
CID 166034390

Frequently Asked Questions

What is the IUPAC name of 11-pent-2-enylidene-6,6,16,16-tetraphenyloctacyclo[20.6.2.02,17.03,15.05,13.07,12.019,29.026,30]triaconta-1(29),2(17),3,5(13),7(12),8,14,18,20,22(30),23,25,27-tridecaene?
The IUPAC name of 11-pent-2-enylidene-6,6,16,16-tetraphenyloctacyclo[20.6.2.02,17.03,15.05,13.07,12.019,29.026,30]triaconta-1(29),2(17),3,5(13),7(12),8,14,18,20,22(30),23,25,27-tridecaene (CID 91259088) is 11-pent-2-enylidene-6,6,16,16-tetraphenyloctacyclo[20.6.2.02,17.03,15.05,13.07,12.019,29.026,30]triaconta-1(29),2(17),3,5(13),7(12),8,14,18,20,22(30),23,25,27-tridecaene.
What is the SMILES notation for 11-pent-2-enylidene-6,6,16,16-tetraphenyloctacyclo[20.6.2.02,17.03,15.05,13.07,12.019,29.026,30]triaconta-1(29),2(17),3,5(13),7(12),8,14,18,20,22(30),23,25,27-tridecaene?
The canonical SMILES for 11-pent-2-enylidene-6,6,16,16-tetraphenyloctacyclo[20.6.2.02,17.03,15.05,13.07,12.019,29.026,30]triaconta-1(29),2(17),3,5(13),7(12),8,14,18,20,22(30),23,25,27-tridecaene is CCC=CC=C1CC=CC2=C1c1cc3c(cc1C2(c1ccccc1)c1ccccc1)-c1c(cc2ccc4cccc5ccc1c2c45)C3(c1ccccc1)c1ccccc1.
What is the InChIKey of 11-pent-2-enylidene-6,6,16,16-tetraphenyloctacyclo[20.6.2.02,17.03,15.05,13.07,12.019,29.026,30]triaconta-1(29),2(17),3,5(13),7(12),8,14,18,20,22(30),23,25,27-tridecaene?
The InChIKey is UXFZLZKELDZVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42/c1-2-3-8-19-39-22-18-31-50-55(39)48-37-52-49(38-51(48)58(50,43-23-9-4-10-24-43)44-25-11-5-12-26-44)57-47-35-34-41-21-17-20-40-32-33-42(56(47)54(40)41)36-53(57)59(52,45-27-13-6-14-28-45)46-29-15-7-16-30-46/h3-21,23-38H,2,22H2,1H3.
What are the key properties of 11-pent-2-enylidene-6,6,16,16-tetraphenyloctacyclo[20.6.2.02,17.03,15.05,13.07,12.019,29.026,30]triaconta-1(29),2(17),3,5(13),7(12),8,14,18,20,22(30),23,25,27-tridecaene?
11-pent-2-enylidene-6,6,16,16-tetraphenyloctacyclo[20.6.2.02,17.03,15.05,13.07,12.019,29.026,30]triaconta-1(29),2(17),3,5(13),7(12),8,14,18,20,22(30),23,25,27-tridecaene has a molecular weight of 750.99 g/mol, XLogP of 14.90, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-pent-2-enylidene-6,6,16,16-tetraphenyloctacyclo[20.6.2.02,17.03,15.05,13.07,12.019,29.026,30]triaconta-1(29),2(17),3,5(13),7(12),8,14,18,20,22(30),23,25,27-tridecaene is sourced from PubChem (CID 91259088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).