14-[1,2-bis(ethenyl)benzo[e][1]benzofuran-5-yl]-17,17,34,34-tetramethyl-31-naphtho[2,1-b][1]benzofuran-5-yl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(33),22(30),24,26,28,31-pentadecaene

C68H44O4 — CID 142357775

IUPAC14-[1,2-bis(ethenyl)benzo[e][1]benzofuran-5-yl]-17,17,34,34-tetramethyl-31-naphtho[2,1-b][1]benzofuran-5-yl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(33),22(30),24,26,28,31-pentadecaene
SMILESC=Cc1oc2cc(-c3cc4c(c5oc6ccccc6c35)-c3cc5c(cc3C4(C)C)-c3c(cc(-c4cc6oc7ccccc7c6c6ccccc46)c4c3oc3ccccc34)C5(C)C)c3ccccc3c2c1C=C
InChIInChI=1S/C68H44O4/c1-7-35-53(8-2)69-57-33-43(36-19-9-11-21-38(36)59(35)57)45-29-51-63(65-61(45)41-24-14-17-27-55(41)71-65)47-31-50-48(32-49(47)67(51,3)4)64-52(68(50,5)6)30-46(62-42-25-15-18-28-56(42)72-66(62)64)44-34-58-60(39-22-12-10-20-37(39)44)40-23-13-16-26-54(40)70-58/h7-34H,1-2H2,3-6H3
InChIKeyRWLNOLZZKXLPQW-UHFFFAOYSA-N
MW925.10 g/mol
LogP19.67
Rot. Bonds4

About 14-[1,2-bis(ethenyl)benzo[e][1]benzofuran-5-yl]-17,17,34,34-tetramethyl-31-naphtho[2,1-b][1]benzofuran-5-yl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(33),22(30),24,26,28,31-pentadecaene

14-[1,2-bis(ethenyl)benzo[e][1]benzofuran-5-yl]-17,17,34,34-tetramethyl-31-naphtho[2,1-b][1]benzofuran-5-yl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(33),22(30),24,26,28,31-pentadecaene (PubChem CID 142357775) has the molecular formula C68H44O4 and a molecular weight of 925.10 g/mol. Its IUPAC name is 14-[1,2-bis(ethenyl)benzo[e][1]benzofuran-5-yl]-17,17,34,34-tetramethyl-31-naphtho[2,1-b][1]benzofuran-5-yl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(33),22(30),24,26,28,31-pentadecaene.

Molecular Properties

Compound Name14-[1,2-bis(ethenyl)benzo[e][1]benzofuran-5-yl]-17,17,34,34-tetramethyl-31-naphtho[2,1-b][1]benzofuran-5-yl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(33),22(30),24,26,28,31-pentadecaene
PubChem CID142357775
Molecular FormulaC68H44O4
Molecular Weight925.10 g/mol
Exact Mass924.32
IUPAC Name14-[1,2-bis(ethenyl)benzo[e][1]benzofuran-5-yl]-17,17,34,34-tetramethyl-31-naphtho[2,1-b][1]benzofuran-5-yl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(33),22(30),24,26,28,31-pentadecaene
SMILESC=Cc1oc2cc(-c3cc4c(c5oc6ccccc6c35)-c3cc5c(cc3C4(C)C)-c3c(cc(-c4cc6oc7ccccc7c6c6ccccc46)c4c3oc3ccccc34)C5(C)C)c3ccccc3c2c1C=C
InChIInChI=1S/C68H44O4/c1-7-35-53(8-2)69-57-33-43(36-19-9-11-21-38(36)59(35)57)45-29-51-63(65-61(45)41-24-14-17-27-55(41)71-65)47-31-50-48(32-49(47)67(51,3)4)64-52(68(50,5)6)30-46(62-42-25-15-18-28-56(42)72-66(62)64)44-34-58-60(39-22-12-10-20-37(39)44)40-23-13-16-26-54(40)70-58/h7-34H,1-2H2,3-6H3
InChIKeyRWLNOLZZKXLPQW-UHFFFAOYSA-N
XLogP19.67
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.10
LogP ≤ 519.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-[1,2-bis(ethenyl)benzo[e][1]benzofuran-5-yl]-17,17,34,34-tetramethyl-31-naphtho[2,1-b][1]benzofuran-5-yl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(33),22(30),24,26,28,31-pentadecaene with MolForge

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Related Compounds

17,17,34,34-tetramethyl-14,31-bis(4-naphthalen-1-ylphenyl)-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene
CID 142357653
12,22-bis(11,11-dimethylbenzo[a]fluoren-5-yl)-15,15,19,19-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene
CID 146228023
N-(7,7-dimethyl-5-phenylfluoreno[5,6-b][1]benzofuran-9-yl)-7,7-dimethyl-5-phenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
CID 155088779
17,17,34,34-tetramethyl-14,31-di(phenanthren-9-yl)-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene
CID 134556891
17,17,34,34-tetramethyl-14-N,31-N-diphenyl-14-N,31-N-bis(2-phenylphenyl)-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine
CID 134561249
ethane;17,17,34,34-tetramethyl-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene
CID 142357713
17,17,34,34-tetramethyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene
CID 58261464
12,22-dibromo-15,15,19,19-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2,5,7,9,11,13,17,20(25),21,23,26-dodecaene
CID 142355688
9-chloro-7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran
CID 138569742
5-N,5-N,9-N,9-N-tetrakis(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-5,9-diamine
CID 146523096
14,31-bis(9,9-dimethylfluoren-3-yl)-17,17,34,34-tetramethyl-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene
CID 134557106
7,7-dimethyl-5-(10-naphthalen-1-ylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran
CID 122415730

Frequently Asked Questions

What is the IUPAC name of 14-[1,2-bis(ethenyl)benzo[e][1]benzofuran-5-yl]-17,17,34,34-tetramethyl-31-naphtho[2,1-b][1]benzofuran-5-yl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(33),22(30),24,26,28,31-pentadecaene?
The IUPAC name of 14-[1,2-bis(ethenyl)benzo[e][1]benzofuran-5-yl]-17,17,34,34-tetramethyl-31-naphtho[2,1-b][1]benzofuran-5-yl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(33),22(30),24,26,28,31-pentadecaene (CID 142357775) is 14-[1,2-bis(ethenyl)benzo[e][1]benzofuran-5-yl]-17,17,34,34-tetramethyl-31-naphtho[2,1-b][1]benzofuran-5-yl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(33),22(30),24,26,28,31-pentadecaene.
What is the SMILES notation for 14-[1,2-bis(ethenyl)benzo[e][1]benzofuran-5-yl]-17,17,34,34-tetramethyl-31-naphtho[2,1-b][1]benzofuran-5-yl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(33),22(30),24,26,28,31-pentadecaene?
The canonical SMILES for 14-[1,2-bis(ethenyl)benzo[e][1]benzofuran-5-yl]-17,17,34,34-tetramethyl-31-naphtho[2,1-b][1]benzofuran-5-yl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(33),22(30),24,26,28,31-pentadecaene is C=Cc1oc2cc(-c3cc4c(c5oc6ccccc6c35)-c3cc5c(cc3C4(C)C)-c3c(cc(-c4cc6oc7ccccc7c6c6ccccc46)c4c3oc3ccccc34)C5(C)C)c3ccccc3c2c1C=C.
What is the InChIKey of 14-[1,2-bis(ethenyl)benzo[e][1]benzofuran-5-yl]-17,17,34,34-tetramethyl-31-naphtho[2,1-b][1]benzofuran-5-yl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(33),22(30),24,26,28,31-pentadecaene?
The InChIKey is RWLNOLZZKXLPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44O4/c1-7-35-53(8-2)69-57-33-43(36-19-9-11-21-38(36)59(35)57)45-29-51-63(65-61(45)41-24-14-17-27-55(41)71-65)47-31-50-48(32-49(47)67(51,3)4)64-52(68(50,5)6)30-46(62-42-25-15-18-28-56(42)72-66(62)64)44-34-58-60(39-22-12-10-20-37(39)44)40-23-13-16-26-54(40)70-58/h7-34H,1-2H2,3-6H3.
What are the key properties of 14-[1,2-bis(ethenyl)benzo[e][1]benzofuran-5-yl]-17,17,34,34-tetramethyl-31-naphtho[2,1-b][1]benzofuran-5-yl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(33),22(30),24,26,28,31-pentadecaene?
14-[1,2-bis(ethenyl)benzo[e][1]benzofuran-5-yl]-17,17,34,34-tetramethyl-31-naphtho[2,1-b][1]benzofuran-5-yl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(33),22(30),24,26,28,31-pentadecaene has a molecular weight of 925.10 g/mol, XLogP of 19.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[1,2-bis(ethenyl)benzo[e][1]benzofuran-5-yl]-17,17,34,34-tetramethyl-31-naphtho[2,1-b][1]benzofuran-5-yl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(33),22(30),24,26,28,31-pentadecaene is sourced from PubChem (CID 142357775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).