(17E,18Z)-18-ethylidene-17-prop-2-enylidenehexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),19,23-decaene

C29H22 — CID 144663172

IUPAC(17E,18Z)-18-ethylidene-17-prop-2-enylidenehexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),19,23-decaene
SMILESC=C/C=c1/c2c(cc/c1=C/C)Cc1cc3c(cc1-2)Cc1ccc2ccccc2c1-3
InChIInChI=1S/C29H22/c1-3-7-24-18(4-2)10-12-20-14-22-17-27-23(16-26(22)28(20)24)15-21-13-11-19-8-5-6-9-25(19)29(21)27/h3-13,16-17H,1,14-15H2,2H3/b18-4-,24-7+
InChIKeyOLKXVAZTCYLLDD-UVNLCXINSA-N
MW370.50 g/mol
LogP5.75
Rot. Bonds1

About (17E,18Z)-18-ethylidene-17-prop-2-enylidenehexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),19,23-decaene

(17E,18Z)-18-ethylidene-17-prop-2-enylidenehexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),19,23-decaene (PubChem CID 144663172) has the molecular formula C29H22 and a molecular weight of 370.50 g/mol. Its IUPAC name is (17E,18Z)-18-ethylidene-17-prop-2-enylidenehexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),19,23-decaene.

Molecular Properties

Compound Name(17E,18Z)-18-ethylidene-17-prop-2-enylidenehexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),19,23-decaene
PubChem CID144663172
Molecular FormulaC29H22
Molecular Weight370.50 g/mol
Exact Mass370.17
IUPAC Name(17E,18Z)-18-ethylidene-17-prop-2-enylidenehexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),19,23-decaene
SMILESC=C/C=c1/c2c(cc/c1=C/C)Cc1cc3c(cc1-2)Cc1ccc2ccccc2c1-3
InChIInChI=1S/C29H22/c1-3-7-24-18(4-2)10-12-20-14-22-17-27-23(16-26(22)28(20)24)15-21-13-11-19-8-5-6-9-25(19)29(21)27/h3-13,16-17H,1,14-15H2,2H3/b18-4-,24-7+
InChIKeyOLKXVAZTCYLLDD-UVNLCXINSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (17E,18Z)-18-ethylidene-17-prop-2-enylidenehexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),19,23-decaene with MolForge

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Related Compounds

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CID 159117646
22-ethyl-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene
CID 122464018
16-(3-carbazol-9-ylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene
CID 155020557
8,9-dimethyl-7H-benzo[c]fluorene
CID 159520619
9-(10-phenanthren-9-ylanthracen-9-yl)-7H-benzo[c]fluorene
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14-ethyl-14-azaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene
CID 161078028
13,15-dimethyl-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 4558435
6-butylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
CID 158149604
bis(7,12-dihydroindeno[1,2-a]fluorene);11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 158887137
tris(6,12-dihydroindeno[1,2-b]fluorene);ethane;phenanthrene;bis(9,9'-spirobi[fluorene])
CID 161230311
bis(6,12-dihydroindeno[1,2-b]fluorene);ethane;bis(9H-fluorene);phenanthrene;bis(9,9'-spirobi[fluorene])
CID 161124439
7-methylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 158908888

Frequently Asked Questions

What is the IUPAC name of (17E,18Z)-18-ethylidene-17-prop-2-enylidenehexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),19,23-decaene?
The IUPAC name of (17E,18Z)-18-ethylidene-17-prop-2-enylidenehexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),19,23-decaene (CID 144663172) is (17E,18Z)-18-ethylidene-17-prop-2-enylidenehexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),19,23-decaene.
What is the SMILES notation for (17E,18Z)-18-ethylidene-17-prop-2-enylidenehexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),19,23-decaene?
The canonical SMILES for (17E,18Z)-18-ethylidene-17-prop-2-enylidenehexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),19,23-decaene is C=C/C=c1/c2c(cc/c1=C/C)Cc1cc3c(cc1-2)Cc1ccc2ccccc2c1-3.
What is the InChIKey of (17E,18Z)-18-ethylidene-17-prop-2-enylidenehexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),19,23-decaene?
The InChIKey is OLKXVAZTCYLLDD-UVNLCXINSA-N. The full InChI is InChI=1S/C29H22/c1-3-7-24-18(4-2)10-12-20-14-22-17-27-23(16-26(22)28(20)24)15-21-13-11-19-8-5-6-9-25(19)29(21)27/h3-13,16-17H,1,14-15H2,2H3/b18-4-,24-7+.
What are the key properties of (17E,18Z)-18-ethylidene-17-prop-2-enylidenehexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),19,23-decaene?
(17E,18Z)-18-ethylidene-17-prop-2-enylidenehexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),19,23-decaene has a molecular weight of 370.50 g/mol, XLogP of 5.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (17E,18Z)-18-ethylidene-17-prop-2-enylidenehexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),19,23-decaene is sourced from PubChem (CID 144663172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).