2-(10-benzo[a]anthracen-7-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-[10-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)anthracen-9-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-phenanthren-4-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-pyren-1-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-triphenylen-2-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran

C280H176O6 — CID 158320934

IUPAC2-(10-benzo[a]anthracen-7-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-[10-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)anthracen-9-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-phenanthren-4-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-pyren-1-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-triphenylen-2-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran
SMILESC1=c2ccccc2=CC2c3cc(-c4c5ccccc5c(-c5c6ccccc6cc6c5ccc5ccccc56)c5ccccc45)ccc3OC12.C1=c2ccccc2=CC2c3cc(-c4c5ccccc5c(-c5cc6c7ccccc7c7ccccc7c6c6ccccc56)c5ccccc45)ccc3OC12.C1=c2ccccc2=CC2c3cc(-c4c5ccccc5c(-c5ccc6c7ccccc7c7ccccc7c6c5)c5ccccc45)ccc3OC12.C1=c2ccccc2=CC2c3cc(-c4c5ccccc5c(-c5ccc6ccc7cccc8ccc5c6c78)c5ccccc45)ccc3OC12.C1=c2ccccc2=CC2c3cc(-c4c5ccccc5c(-c5cccc6ccc7ccccc7c56)c5ccccc45)ccc3OC12.C1=c2ccccc2=CC2c3cc(-c4c5ccccc5c(-c5ccccc5-c5ccccc5)c5ccccc45)ccc3OC12
InChIInChI=1S/C52H32O.2C48H30O.C46H28O.C44H28O.C42H28O/c1-2-14-32-29-49-45(27-31(32)13-1)44-28-33(25-26-48(44)53-49)50-40-21-9-11-23-42(40)52(43-24-12-10-22-41(43)50)47-30-46-36-17-4-3-15-34(36)35-16-5-7-19-38(35)51(46)39-20-8-6-18-37(39)47;1-2-13-31-28-45-43(25-30(31)12-1)42-27-33(22-24-44(42)49-45)46-36-17-7-9-19-38(36)48(39-20-10-8-18-37(39)46)47-35-16-6-4-14-32(35)26-41-34-15-5-3-11-29(34)21-23-40(41)47;1-2-12-30-28-46-44(25-29(30)11-1)43-27-32(22-24-45(43)49-46)48-40-19-9-7-17-38(40)47(39-18-8-10-20-41(39)48)31-21-23-37-35-15-4-3-13-33(35)34-14-5-6-16-36(34)42(37)26-31;1-2-9-31-26-42-40(24-30(31)8-1)39-25-32(20-23-41(39)47-42)44-33-12-3-5-14-35(33)46(36-15-6-4-13-34(36)44)38-22-19-29-17-16-27-10-7-11-28-18-21-37(38)45(29)43(27)28;1-2-12-30-26-41-39(24-29(30)11-1)38-25-31(22-23-40(38)45-41)43-33-15-5-7-17-35(33)44(36-18-8-6-16-34(36)43)37-19-9-13-28-21-20-27-10-3-4-14-32(27)42(28)37;1-2-12-27(13-3-1)31-16-6-7-17-32(31)42-35-20-10-8-18-33(35)41(34-19-9-11-21-36(34)42)30-22-23-39-37(25-30)38-24-28-14-4-5-15-29(28)26-40(38)43-39/h1-30,45,49H;1-28,43,45H;1-28,44,46H;1-26,40,42H;1-26,39,41H;1-26,38,40H
InChIKeyGOVMFGSHYGGKNC-UHFFFAOYSA-N
MW3636.48 g/mol
LogP63.08
Rot. Bonds13

About 2-(10-benzo[a]anthracen-7-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-[10-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)anthracen-9-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-phenanthren-4-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-pyren-1-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-triphenylen-2-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran

2-(10-benzo[a]anthracen-7-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-[10-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)anthracen-9-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-phenanthren-4-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-pyren-1-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-triphenylen-2-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran (PubChem CID 158320934) has the molecular formula C280H176O6 and a molecular weight of 3636.48 g/mol. Its IUPAC name is 2-(10-benzo[a]anthracen-7-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-[10-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)anthracen-9-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-phenanthren-4-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-pyren-1-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-triphenylen-2-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name2-(10-benzo[a]anthracen-7-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-[10-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)anthracen-9-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-phenanthren-4-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-pyren-1-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-triphenylen-2-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran
PubChem CID158320934
Molecular FormulaC280H176O6
Molecular Weight3636.48 g/mol
Exact Mass3633.35
IUPAC Name2-(10-benzo[a]anthracen-7-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-[10-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)anthracen-9-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-phenanthren-4-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-pyren-1-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-triphenylen-2-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran
SMILESC1=c2ccccc2=CC2c3cc(-c4c5ccccc5c(-c5c6ccccc6cc6c5ccc5ccccc56)c5ccccc45)ccc3OC12.C1=c2ccccc2=CC2c3cc(-c4c5ccccc5c(-c5cc6c7ccccc7c7ccccc7c6c6ccccc56)c5ccccc45)ccc3OC12.C1=c2ccccc2=CC2c3cc(-c4c5ccccc5c(-c5ccc6c7ccccc7c7ccccc7c6c5)c5ccccc45)ccc3OC12.C1=c2ccccc2=CC2c3cc(-c4c5ccccc5c(-c5ccc6ccc7cccc8ccc5c6c78)c5ccccc45)ccc3OC12.C1=c2ccccc2=CC2c3cc(-c4c5ccccc5c(-c5cccc6ccc7ccccc7c56)c5ccccc45)ccc3OC12.C1=c2ccccc2=CC2c3cc(-c4c5ccccc5c(-c5ccccc5-c5ccccc5)c5ccccc45)ccc3OC12
InChIInChI=1S/C52H32O.2C48H30O.C46H28O.C44H28O.C42H28O/c1-2-14-32-29-49-45(27-31(32)13-1)44-28-33(25-26-48(44)53-49)50-40-21-9-11-23-42(40)52(43-24-12-10-22-41(43)50)47-30-46-36-17-4-3-15-34(36)35-16-5-7-19-38(35)51(46)39-20-8-6-18-37(39)47;1-2-13-31-28-45-43(25-30(31)12-1)42-27-33(22-24-44(42)49-45)46-36-17-7-9-19-38(36)48(39-20-10-8-18-37(39)46)47-35-16-6-4-14-32(35)26-41-34-15-5-3-11-29(34)21-23-40(41)47;1-2-12-30-28-46-44(25-29(30)11-1)43-27-32(22-24-45(43)49-46)48-40-19-9-7-17-38(40)47(39-18-8-10-20-41(39)48)31-21-23-37-35-15-4-3-13-33(35)34-14-5-6-16-36(34)42(37)26-31;1-2-9-31-26-42-40(24-30(31)8-1)39-25-32(20-23-41(39)47-42)44-33-12-3-5-14-35(33)46(36-15-6-4-13-34(36)44)38-22-19-29-17-16-27-10-7-11-28-18-21-37(38)45(29)43(27)28;1-2-12-30-26-41-39(24-29(30)11-1)38-25-31(22-23-40(38)45-41)43-33-15-5-7-17-35(33)44(36-18-8-6-16-34(36)43)37-19-9-13-28-21-20-27-10-3-4-14-32(27)42(28)37;1-2-12-27(13-3-1)31-16-6-7-17-32(31)42-35-20-10-8-18-33(35)41(34-19-9-11-21-36(34)42)30-22-23-39-37(25-30)38-24-28-14-4-5-15-29(28)26-40(38)43-39/h1-30,45,49H;1-28,43,45H;1-28,44,46H;1-26,40,42H;1-26,39,41H;1-26,38,40H
InChIKeyGOVMFGSHYGGKNC-UHFFFAOYSA-N
XLogP63.08
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms286
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003636.48
LogP ≤ 563.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(10-benzo[a]anthracen-7-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-[10-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)anthracen-9-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-phenanthren-4-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-pyren-1-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-triphenylen-2-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran with MolForge

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Related Compounds

12-[4-(10-benzo[c]phenanthren-5-ylanthracen-9-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;12-(10-chrysen-6-ylanthracen-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;12-[10-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;12-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;14-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 167605056
9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9-naphthalen-2-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene;2-[4-(10-phenylanthracen-9-yl)phenyl]triphenylene;2-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]triphenylene;9-(4-phenylnaphthalen-1-yl)-10-(4-phenylphenyl)anthracene;9-(2-phenylphenyl)-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 165097337
1-(2-naphthalen-1-yl-10-phenanthren-9-ylanthracen-9-yl)pyrene
CID 58322883
7-(6-phenylpyren-2-yl)benzo[a]anthracene
CID 177078612
9-(3-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;1-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyrene
CID 165031655
5,12-di(fluoranthen-3-yl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;5,12-di(phenanthren-1-yl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;5,12-di(phenanthren-2-yl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;5,12-di(pyren-1-yl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;5,12-di(pyren-2-yl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;5,12-di(tetracen-5-yl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene
CID 159229178
9,10-dinaphthalen-1-yl-2-phenanthren-9-ylanthracene;9,10-dinaphthalen-2-yl-2-phenanthren-9-ylanthracene;2-phenanthren-9-yl-9,10-diphenylanthracene;1-(2-phenanthren-9-yl-10-pyren-1-ylanthracen-9-yl)pyrene
CID 160675826
10-phenyl-7-pyren-1-ylbenzo[a]anthracene
CID 177078596
16-benzo[a]anthracen-7-ylhexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaene
CID 167413015
7-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]anthracene;5-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[c]phenanthrene;21-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;2-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylphenyl)anthracen-9-yl]triphenylene
CID 163546344
4-[10-(2-phenylphenyl)anthracen-9-yl]pyrene
CID 140784013
9,10-dinaphthalen-1-ylanthracene;4-(10-naphthalen-1-ylanthracen-9-yl)pyrene;4-(10-naphthalen-2-ylanthracen-9-yl)pyrene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-1-yl-10-phenanthren-9-ylanthracene;9-naphthalen-2-yl-10-phenanthren-9-ylanthracene;4-(10-phenylanthracen-9-yl)pyrene
CID 157157236

Frequently Asked Questions

What is the IUPAC name of 2-(10-benzo[a]anthracen-7-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-[10-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)anthracen-9-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-phenanthren-4-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-pyren-1-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-triphenylen-2-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran?
The IUPAC name of 2-(10-benzo[a]anthracen-7-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-[10-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)anthracen-9-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-phenanthren-4-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-pyren-1-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-triphenylen-2-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran (CID 158320934) is 2-(10-benzo[a]anthracen-7-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-[10-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)anthracen-9-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-phenanthren-4-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-pyren-1-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-triphenylen-2-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 2-(10-benzo[a]anthracen-7-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-[10-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)anthracen-9-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-phenanthren-4-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-pyren-1-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-triphenylen-2-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran?
The canonical SMILES for 2-(10-benzo[a]anthracen-7-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-[10-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)anthracen-9-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-phenanthren-4-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-pyren-1-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-triphenylen-2-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran is C1=c2ccccc2=CC2c3cc(-c4c5ccccc5c(-c5c6ccccc6cc6c5ccc5ccccc56)c5ccccc45)ccc3OC12.C1=c2ccccc2=CC2c3cc(-c4c5ccccc5c(-c5cc6c7ccccc7c7ccccc7c6c6ccccc56)c5ccccc45)ccc3OC12.C1=c2ccccc2=CC2c3cc(-c4c5ccccc5c(-c5ccc6c7ccccc7c7ccccc7c6c5)c5ccccc45)ccc3OC12.C1=c2ccccc2=CC2c3cc(-c4c5ccccc5c(-c5ccc6ccc7cccc8ccc5c6c78)c5ccccc45)ccc3OC12.C1=c2ccccc2=CC2c3cc(-c4c5ccccc5c(-c5cccc6ccc7ccccc7c56)c5ccccc45)ccc3OC12.C1=c2ccccc2=CC2c3cc(-c4c5ccccc5c(-c5ccccc5-c5ccccc5)c5ccccc45)ccc3OC12.
What is the InChIKey of 2-(10-benzo[a]anthracen-7-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-[10-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)anthracen-9-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-phenanthren-4-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-pyren-1-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-triphenylen-2-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran?
The InChIKey is GOVMFGSHYGGKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32O.2C48H30O.C46H28O.C44H28O.C42H28O/c1-2-14-32-29-49-45(27-31(32)13-1)44-28-33(25-26-48(44)53-49)50-40-21-9-11-23-42(40)52(43-24-12-10-22-41(43)50)47-30-46-36-17-4-3-15-34(36)35-16-5-7-19-38(35)51(46)39-20-8-6-18-37(39)47;1-2-13-31-28-45-43(25-30(31)12-1)42-27-33(22-24-44(42)49-45)46-36-17-7-9-19-38(36)48(39-20-10-8-18-37(39)46)47-35-16-6-4-14-32(35)26-41-34-15-5-3-11-29(34)21-23-40(41)47;1-2-12-30-28-46-44(25-29(30)11-1)43-27-32(22-24-45(43)49-46)48-40-19-9-7-17-38(40)47(39-18-8-10-20-41(39)48)31-21-23-37-35-15-4-3-13-33(35)34-14-5-6-16-36(34)42(37)26-31;1-2-9-31-26-42-40(24-30(31)8-1)39-25-32(20-23-41(39)47-42)44-33-12-3-5-14-35(33)46(36-15-6-4-13-34(36)44)38-22-19-29-17-16-27-10-7-11-28-18-21-37(38)45(29)43(27)28;1-2-12-30-26-41-39(24-29(30)11-1)38-25-31(22-23-40(38)45-41)43-33-15-5-7-17-35(33)44(36-18-8-6-16-34(36)43)37-19-9-13-28-21-20-27-10-3-4-14-32(27)42(28)37;1-2-12-27(13-3-1)31-16-6-7-17-32(31)42-35-20-10-8-18-33(35)41(34-19-9-11-21-36(34)42)30-22-23-39-37(25-30)38-24-28-14-4-5-15-29(28)26-40(38)43-39/h1-30,45,49H;1-28,43,45H;1-28,44,46H;1-26,40,42H;1-26,39,41H;1-26,38,40H.
What are the key properties of 2-(10-benzo[a]anthracen-7-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-[10-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)anthracen-9-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-phenanthren-4-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-pyren-1-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-triphenylen-2-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran?
2-(10-benzo[a]anthracen-7-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-[10-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)anthracen-9-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-phenanthren-4-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-pyren-1-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-triphenylen-2-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran has a molecular weight of 3636.48 g/mol, XLogP of 63.08, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-benzo[a]anthracen-7-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-[10-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)anthracen-9-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-phenanthren-4-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-pyren-1-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran;2-(10-triphenylen-2-ylanthracen-9-yl)-5a,11a-dihydronaphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 158320934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).