14,31-bis(naphtho[2,1-b][1]benzofuran-9-yl)-12,17,29,34-tetraoxanonacyclo[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

C62H30O6 — CID 134556960

IUPAC14,31-bis(naphtho[2,1-b][1]benzofuran-9-yl)-12,17,29,34-tetraoxanonacyclo[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
SMILESc1ccc2c(c1)ccc1oc3cc(-c4cc5oc6cc7c(cc6c5c5c4oc4ccccc45)oc4cc(-c5ccc6c(c5)oc5ccc8ccccc8c56)c5oc6ccccc6c5c47)ccc3c12
InChIInChI=1S/C62H30O6/c1-3-11-35-31(9-1)19-23-47-55(35)39-21-17-33(25-49(39)63-47)41-27-53-57(59-37-13-5-7-15-45(37)67-61(41)59)43-29-52-44(30-51(43)65-53)58-54(66-52)28-42(62-60(58)38-14-6-8-16-46(38)68-62)34-18-22-40-50(26-34)64-48-24-20-32-10-2-4-12-36(32)56(40)48/h1-30H
InChIKeyRSYYVCPBNBHMMF-UHFFFAOYSA-N
MW870.92 g/mol
LogP18.72
Rot. Bonds2

About 14,31-bis(naphtho[2,1-b][1]benzofuran-9-yl)-12,17,29,34-tetraoxanonacyclo[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

14,31-bis(naphtho[2,1-b][1]benzofuran-9-yl)-12,17,29,34-tetraoxanonacyclo[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 (PubChem CID 134556960) has the molecular formula C62H30O6 and a molecular weight of 870.92 g/mol. Its IUPAC name is 14,31-bis(naphtho[2,1-b][1]benzofuran-9-yl)-12,17,29,34-tetraoxanonacyclo[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.

Molecular Properties

Compound Name14,31-bis(naphtho[2,1-b][1]benzofuran-9-yl)-12,17,29,34-tetraoxanonacyclo[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
PubChem CID134556960
Molecular FormulaC62H30O6
Molecular Weight870.92 g/mol
Exact Mass870.20
IUPAC Name14,31-bis(naphtho[2,1-b][1]benzofuran-9-yl)-12,17,29,34-tetraoxanonacyclo[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
SMILESc1ccc2c(c1)ccc1oc3cc(-c4cc5oc6cc7c(cc6c5c5c4oc4ccccc45)oc4cc(-c5ccc6c(c5)oc5ccc8ccccc8c56)c5oc6ccccc6c5c47)ccc3c12
InChIInChI=1S/C62H30O6/c1-3-11-35-31(9-1)19-23-47-55(35)39-21-17-33(25-49(39)63-47)41-27-53-57(59-37-13-5-7-15-45(37)67-61(41)59)43-29-52-44(30-51(43)65-53)58-54(66-52)28-42(62-60(58)38-14-6-8-16-46(38)68-62)34-18-22-40-50(26-34)64-48-24-20-32-10-2-4-12-36(32)56(40)48/h1-30H
InChIKeyRSYYVCPBNBHMMF-UHFFFAOYSA-N
XLogP18.72
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.92
LogP ≤ 518.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 14,31-bis(naphtho[2,1-b][1]benzofuran-9-yl)-12,17,29,34-tetraoxanonacyclo[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 with MolForge

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Related Compounds

N-(9-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 170001218
11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 130190182
N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline
CID 138651156
16-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 174289738
11-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122426995
6-[12-(6-phenylnaphthalen-2-yl)benzo[10]annulen-5-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
CID 130212424
5,18-diphenyl-11-(3-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 58004208
5-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene
CID 130190220
9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 122415553
15-(10-naphthalen-2-ylanthracen-9-yl)-12,23-dioxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
CID 130190089
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazine
CID 176587967
2-[9-(4-dibenzofuran-3-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 167424104

Frequently Asked Questions

What is the IUPAC name of 14,31-bis(naphtho[2,1-b][1]benzofuran-9-yl)-12,17,29,34-tetraoxanonacyclo[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?
The IUPAC name of 14,31-bis(naphtho[2,1-b][1]benzofuran-9-yl)-12,17,29,34-tetraoxanonacyclo[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 134556960) is 14,31-bis(naphtho[2,1-b][1]benzofuran-9-yl)-12,17,29,34-tetraoxanonacyclo[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.
What is the SMILES notation for 14,31-bis(naphtho[2,1-b][1]benzofuran-9-yl)-12,17,29,34-tetraoxanonacyclo[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?
The canonical SMILES for 14,31-bis(naphtho[2,1-b][1]benzofuran-9-yl)-12,17,29,34-tetraoxanonacyclo[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 is c1ccc2c(c1)ccc1oc3cc(-c4cc5oc6cc7c(cc6c5c5c4oc4ccccc45)oc4cc(-c5ccc6c(c5)oc5ccc8ccccc8c56)c5oc6ccccc6c5c47)ccc3c12.
What is the InChIKey of 14,31-bis(naphtho[2,1-b][1]benzofuran-9-yl)-12,17,29,34-tetraoxanonacyclo[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?
The InChIKey is RSYYVCPBNBHMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H30O6/c1-3-11-35-31(9-1)19-23-47-55(35)39-21-17-33(25-49(39)63-47)41-27-53-57(59-37-13-5-7-15-45(37)67-61(41)59)43-29-52-44(30-51(43)65-53)58-54(66-52)28-42(62-60(58)38-14-6-8-16-46(38)68-62)34-18-22-40-50(26-34)64-48-24-20-32-10-2-4-12-36(32)56(40)48/h1-30H.
What are the key properties of 14,31-bis(naphtho[2,1-b][1]benzofuran-9-yl)-12,17,29,34-tetraoxanonacyclo[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?
14,31-bis(naphtho[2,1-b][1]benzofuran-9-yl)-12,17,29,34-tetraoxanonacyclo[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 has a molecular weight of 870.92 g/mol, XLogP of 18.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14,31-bis(naphtho[2,1-b][1]benzofuran-9-yl)-12,17,29,34-tetraoxanonacyclo[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 is sourced from PubChem (CID 134556960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).