3-(7-dibenzofuran-3-ylpyren-2-yl)dibenzofuran;2-(6-naphtho[2,3-b][1]benzothiol-2-yl-10b,10c-dihydropyren-1-yl)naphtho[2,3-b][1]benzothiole;2-(5-naphtho[2,3-b][1]benzothiol-2-yl-3,8-diphenylpyren-1-yl)naphtho[2,3-b][1]benzothiole;2-(7-naphtho[2,3-b][1]benzothiol-2-ylpyren-2-yl)naphtho[2,3-b][1]benzothiole;8-(6-naphtho[1,2-b][1]benzothiol-9-ylpyren-1-yl)naphtho[1,2-b][1]benzothiole;8-(7-naphtho[1,2-b][1]benzothiol-8-ylpyren-2-yl)naphtho[1,2-b][1]benzothiole

C292H162O2S10 — CID 162017900

IUPAC3-(7-dibenzofuran-3-ylpyren-2-yl)dibenzofuran;2-(6-naphtho[2,3-b][1]benzothiol-2-yl-10b,10c-dihydropyren-1-yl)naphtho[2,3-b][1]benzothiole;2-(5-naphtho[2,3-b][1]benzothiol-2-yl-3,8-diphenylpyren-1-yl)naphtho[2,3-b][1]benzothiole;2-(7-naphtho[2,3-b][1]benzothiol-2-ylpyren-2-yl)naphtho[2,3-b][1]benzothiole;8-(6-naphtho[1,2-b][1]benzothiol-9-ylpyren-1-yl)naphtho[1,2-b][1]benzothiole;8-(7-naphtho[1,2-b][1]benzothiol-8-ylpyren-2-yl)naphtho[1,2-b][1]benzothiole
SMILESC1=CC2=C(c3ccc4sc5cc6ccccc6cc5c4c3)C=CC3=CC=C4C(c5ccc6sc7cc8ccccc8cc7c6c5)=CC=C1C4C32.c1ccc(-c2ccc3c(-c4ccc5sc6cc7ccccc7cc6c5c4)cc4c(-c5ccccc5)cc(-c5ccc6sc7cc8ccccc8cc7c6c5)c5ccc2c3c54)cc1.c1ccc2c(c1)ccc1c3cc(-c4cc5ccc6cc(-c7ccc8sc9c%10ccccc%10ccc9c8c7)cc7ccc(c4)c5c67)ccc3sc21.c1ccc2c(c1)ccc1c3ccc(-c4ccc5ccc6c(-c7ccc8sc9c%10ccccc%10ccc9c8c7)ccc7ccc4c5c76)cc3sc21.c1ccc2c(c1)oc1cc(-c3cc4ccc5cc(-c6ccc7c(c6)oc6ccccc67)cc6ccc(c3)c4c56)ccc12.c1ccc2cc3c(cc2c1)sc1ccc(-c2cc4ccc5cc(-c6ccc7sc8cc9ccccc9cc8c7c6)cc6ccc(c2)c4c56)cc13
InChIInChI=1S/C60H34S2.C48H26S2.C48H28S2.2C48H26S2.C40H22O2/c1-3-11-35(12-4-1)43-21-22-45-49(42-20-26-56-51(30-42)53-28-38-16-8-10-18-40(38)32-58(53)62-56)34-54-47(36-13-5-2-6-14-36)33-48(46-24-23-44(43)59(45)60(46)54)41-19-25-55-50(29-41)52-27-37-15-7-9-17-39(37)31-57(52)61-55;1-3-7-35-27(5-1)9-22-40-37-19-15-32(26-44(37)50-47(35)40)34-18-12-30-13-20-38-33(17-11-29-14-21-39(34)46(30)45(29)38)31-16-24-43-42(25-31)41-23-10-28-6-2-4-8-36(28)48(41)49-43;1-3-7-31-25-45-41(21-29(31)5-1)39-23-33(13-19-43(39)49-45)35-15-9-27-12-18-38-36(16-10-28-11-17-37(35)47(27)48(28)38)34-14-20-44-40(24-34)42-22-30-6-2-4-8-32(30)26-46(42)50-44;1-3-7-37-27(5-1)13-17-39-41-25-29(15-19-43(41)49-47(37)39)35-21-31-9-11-33-23-36(24-34-12-10-32(22-35)45(31)46(33)34)30-16-20-44-42(26-30)40-18-14-28-6-2-4-8-38(28)48(40)50-44;1-3-7-29-25-45-41(21-27(29)5-1)39-23-31(13-15-43(39)49-45)37-17-33-9-11-35-19-38(20-36-12-10-34(18-37)47(33)48(35)36)32-14-16-44-40(24-32)42-22-28-6-2-4-8-30(28)26-46(42)50-44;1-3-7-35-31(5-1)33-15-13-23(21-37(33)41-35)29-17-25-9-11-27-19-30(20-28-12-10-26(18-29)39(25)40(27)28)24-14-16-34-32-6-2-4-8-36(32)42-38(34)22-24/h1-34H;1-26H;1-26,47-48H;2*1-26H;1-22H
InChIKeyYUIZDKYQTSNONX-UHFFFAOYSA-N
MW4023.18 g/mol
LogP88.64
Rot. Bonds14

About 3-(7-dibenzofuran-3-ylpyren-2-yl)dibenzofuran;2-(6-naphtho[2,3-b][1]benzothiol-2-yl-10b,10c-dihydropyren-1-yl)naphtho[2,3-b][1]benzothiole;2-(5-naphtho[2,3-b][1]benzothiol-2-yl-3,8-diphenylpyren-1-yl)naphtho[2,3-b][1]benzothiole;2-(7-naphtho[2,3-b][1]benzothiol-2-ylpyren-2-yl)naphtho[2,3-b][1]benzothiole;8-(6-naphtho[1,2-b][1]benzothiol-9-ylpyren-1-yl)naphtho[1,2-b][1]benzothiole;8-(7-naphtho[1,2-b][1]benzothiol-8-ylpyren-2-yl)naphtho[1,2-b][1]benzothiole

3-(7-dibenzofuran-3-ylpyren-2-yl)dibenzofuran;2-(6-naphtho[2,3-b][1]benzothiol-2-yl-10b,10c-dihydropyren-1-yl)naphtho[2,3-b][1]benzothiole;2-(5-naphtho[2,3-b][1]benzothiol-2-yl-3,8-diphenylpyren-1-yl)naphtho[2,3-b][1]benzothiole;2-(7-naphtho[2,3-b][1]benzothiol-2-ylpyren-2-yl)naphtho[2,3-b][1]benzothiole;8-(6-naphtho[1,2-b][1]benzothiol-9-ylpyren-1-yl)naphtho[1,2-b][1]benzothiole;8-(7-naphtho[1,2-b][1]benzothiol-8-ylpyren-2-yl)naphtho[1,2-b][1]benzothiole (PubChem CID 162017900) has the molecular formula C292H162O2S10 and a molecular weight of 4023.18 g/mol. Its IUPAC name is 3-(7-dibenzofuran-3-ylpyren-2-yl)dibenzofuran;2-(6-naphtho[2,3-b][1]benzothiol-2-yl-10b,10c-dihydropyren-1-yl)naphtho[2,3-b][1]benzothiole;2-(5-naphtho[2,3-b][1]benzothiol-2-yl-3,8-diphenylpyren-1-yl)naphtho[2,3-b][1]benzothiole;2-(7-naphtho[2,3-b][1]benzothiol-2-ylpyren-2-yl)naphtho[2,3-b][1]benzothiole;8-(6-naphtho[1,2-b][1]benzothiol-9-ylpyren-1-yl)naphtho[1,2-b][1]benzothiole;8-(7-naphtho[1,2-b][1]benzothiol-8-ylpyren-2-yl)naphtho[1,2-b][1]benzothiole.

Molecular Properties

Compound Name3-(7-dibenzofuran-3-ylpyren-2-yl)dibenzofuran;2-(6-naphtho[2,3-b][1]benzothiol-2-yl-10b,10c-dihydropyren-1-yl)naphtho[2,3-b][1]benzothiole;2-(5-naphtho[2,3-b][1]benzothiol-2-yl-3,8-diphenylpyren-1-yl)naphtho[2,3-b][1]benzothiole;2-(7-naphtho[2,3-b][1]benzothiol-2-ylpyren-2-yl)naphtho[2,3-b][1]benzothiole;8-(6-naphtho[1,2-b][1]benzothiol-9-ylpyren-1-yl)naphtho[1,2-b][1]benzothiole;8-(7-naphtho[1,2-b][1]benzothiol-8-ylpyren-2-yl)naphtho[1,2-b][1]benzothiole
PubChem CID162017900
Molecular FormulaC292H162O2S10
Molecular Weight4023.18 g/mol
Exact Mass4018.98
IUPAC Name3-(7-dibenzofuran-3-ylpyren-2-yl)dibenzofuran;2-(6-naphtho[2,3-b][1]benzothiol-2-yl-10b,10c-dihydropyren-1-yl)naphtho[2,3-b][1]benzothiole;2-(5-naphtho[2,3-b][1]benzothiol-2-yl-3,8-diphenylpyren-1-yl)naphtho[2,3-b][1]benzothiole;2-(7-naphtho[2,3-b][1]benzothiol-2-ylpyren-2-yl)naphtho[2,3-b][1]benzothiole;8-(6-naphtho[1,2-b][1]benzothiol-9-ylpyren-1-yl)naphtho[1,2-b][1]benzothiole;8-(7-naphtho[1,2-b][1]benzothiol-8-ylpyren-2-yl)naphtho[1,2-b][1]benzothiole
SMILESC1=CC2=C(c3ccc4sc5cc6ccccc6cc5c4c3)C=CC3=CC=C4C(c5ccc6sc7cc8ccccc8cc7c6c5)=CC=C1C4C32.c1ccc(-c2ccc3c(-c4ccc5sc6cc7ccccc7cc6c5c4)cc4c(-c5ccccc5)cc(-c5ccc6sc7cc8ccccc8cc7c6c5)c5ccc2c3c54)cc1.c1ccc2c(c1)ccc1c3cc(-c4cc5ccc6cc(-c7ccc8sc9c%10ccccc%10ccc9c8c7)cc7ccc(c4)c5c67)ccc3sc21.c1ccc2c(c1)ccc1c3ccc(-c4ccc5ccc6c(-c7ccc8sc9c%10ccccc%10ccc9c8c7)ccc7ccc4c5c76)cc3sc21.c1ccc2c(c1)oc1cc(-c3cc4ccc5cc(-c6ccc7c(c6)oc6ccccc67)cc6ccc(c3)c4c56)ccc12.c1ccc2cc3c(cc2c1)sc1ccc(-c2cc4ccc5cc(-c6ccc7sc8cc9ccccc9cc8c7c6)cc6ccc(c2)c4c56)cc13
InChIInChI=1S/C60H34S2.C48H26S2.C48H28S2.2C48H26S2.C40H22O2/c1-3-11-35(12-4-1)43-21-22-45-49(42-20-26-56-51(30-42)53-28-38-16-8-10-18-40(38)32-58(53)62-56)34-54-47(36-13-5-2-6-14-36)33-48(46-24-23-44(43)59(45)60(46)54)41-19-25-55-50(29-41)52-27-37-15-7-9-17-39(37)31-57(52)61-55;1-3-7-35-27(5-1)9-22-40-37-19-15-32(26-44(37)50-47(35)40)34-18-12-30-13-20-38-33(17-11-29-14-21-39(34)46(30)45(29)38)31-16-24-43-42(25-31)41-23-10-28-6-2-4-8-36(28)48(41)49-43;1-3-7-31-25-45-41(21-29(31)5-1)39-23-33(13-19-43(39)49-45)35-15-9-27-12-18-38-36(16-10-28-11-17-37(35)47(27)48(28)38)34-14-20-44-40(24-34)42-22-30-6-2-4-8-32(30)26-46(42)50-44;1-3-7-37-27(5-1)13-17-39-41-25-29(15-19-43(41)49-47(37)39)35-21-31-9-11-33-23-36(24-34-12-10-32(22-35)45(31)46(33)34)30-16-20-44-42(26-30)40-18-14-28-6-2-4-8-38(28)48(40)50-44;1-3-7-29-25-45-41(21-27(29)5-1)39-23-31(13-15-43(39)49-45)37-17-33-9-11-35-19-38(20-36-12-10-34(18-37)47(33)48(35)36)32-14-16-44-40(24-32)42-22-28-6-2-4-8-30(28)26-46(42)50-44;1-3-7-35-31(5-1)33-15-13-23(21-37(33)41-35)29-17-25-9-11-27-19-30(20-28-12-10-26(18-29)39(25)40(27)28)24-14-16-34-32-6-2-4-8-36(32)42-38(34)22-24/h1-34H;1-26H;1-26,47-48H;2*1-26H;1-22H
InChIKeyYUIZDKYQTSNONX-UHFFFAOYSA-N
XLogP88.64
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms304
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004023.18
LogP ≤ 588.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-(7-dibenzofuran-3-ylpyren-2-yl)dibenzofuran;2-(6-naphtho[2,3-b][1]benzothiol-2-yl-10b,10c-dihydropyren-1-yl)naphtho[2,3-b][1]benzothiole;2-(5-naphtho[2,3-b][1]benzothiol-2-yl-3,8-diphenylpyren-1-yl)naphtho[2,3-b][1]benzothiole;2-(7-naphtho[2,3-b][1]benzothiol-2-ylpyren-2-yl)naphtho[2,3-b][1]benzothiole;8-(6-naphtho[1,2-b][1]benzothiol-9-ylpyren-1-yl)naphtho[1,2-b][1]benzothiole;8-(7-naphtho[1,2-b][1]benzothiol-8-ylpyren-2-yl)naphtho[1,2-b][1]benzothiole with MolForge

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Related Compounds

2-(6-dibenzothiophen-2-yl-3,8-diphenylpyren-1-yl)dibenzothiophene;2-[3,6-di(dibenzothiophen-2-yl)-8-dibenzothiophen-3-ylpyren-1-yl]dibenzothiophene;3,7-di(pyren-1-yl)dibenzothiophene
CID 158188631
2-(10-phenanthren-3-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;3-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzothiole;9-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzothiole;2-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzothiole;8-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole
CID 158713118
2-(3-dibenzofuran-2-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline;2-(3-dibenzofuran-3-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline;2-(3-dibenzothiophen-2-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline;2-(3-dibenzothiophen-3-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline;2-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-[1]benzofuro[3,2-b]quinoxaline;2-[3-(3-dibenzothiophen-3-ylphenyl)phenyl]-[1]benzofuro[3,2-b]quinoxaline;2-(3-naphtho[1,2-b][1]benzothiol-5-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline
CID 158560598
1-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;4-(12-naphthalen-1-ylchrysen-6-yl)dibenzothiophene;1-(12-phenylchrysen-6-yl)dibenzothiophene;2-(12-phenylchrysen-6-yl)dibenzothiophene;3-(12-phenylchrysen-6-yl)dibenzothiophene;4-(12-phenylchrysen-6-yl)dibenzothiophene
CID 161005842
3-naphtho[1,2-b][1]benzothiol-8-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 167306835
2-[3-(6-phenylpyren-1-yl)phenyl]dibenzothiophene
CID 59758526
2-dibenzofuran-3-yl-4-[8-(2-dibenzothiophen-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
CID 170192686
2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-naphtho[7,6-b][1]benzothiol-7-ylphenyl)-6-phenyl-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157489549
2-dibenzofuran-3-yl-4-(4-dibenzothiophen-1-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-2-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-3-ylphenyl)-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-3-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylphenyl)-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 159819778
3-[10-(3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-yl)anthracen-9-yl]dibenzofuran
CID 163733044
2-(6-phenylpyren-1-yl)-8-pyren-1-yldibenzothiophene
CID 59758450
2-dibenzothiophen-2-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-(9-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-(6-triphenylen-2-yldibenzothiophen-3-yl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-3-yl)-1,3,5-triazine
CID 158245643

Frequently Asked Questions

What is the IUPAC name of 3-(7-dibenzofuran-3-ylpyren-2-yl)dibenzofuran;2-(6-naphtho[2,3-b][1]benzothiol-2-yl-10b,10c-dihydropyren-1-yl)naphtho[2,3-b][1]benzothiole;2-(5-naphtho[2,3-b][1]benzothiol-2-yl-3,8-diphenylpyren-1-yl)naphtho[2,3-b][1]benzothiole;2-(7-naphtho[2,3-b][1]benzothiol-2-ylpyren-2-yl)naphtho[2,3-b][1]benzothiole;8-(6-naphtho[1,2-b][1]benzothiol-9-ylpyren-1-yl)naphtho[1,2-b][1]benzothiole;8-(7-naphtho[1,2-b][1]benzothiol-8-ylpyren-2-yl)naphtho[1,2-b][1]benzothiole?
The IUPAC name of 3-(7-dibenzofuran-3-ylpyren-2-yl)dibenzofuran;2-(6-naphtho[2,3-b][1]benzothiol-2-yl-10b,10c-dihydropyren-1-yl)naphtho[2,3-b][1]benzothiole;2-(5-naphtho[2,3-b][1]benzothiol-2-yl-3,8-diphenylpyren-1-yl)naphtho[2,3-b][1]benzothiole;2-(7-naphtho[2,3-b][1]benzothiol-2-ylpyren-2-yl)naphtho[2,3-b][1]benzothiole;8-(6-naphtho[1,2-b][1]benzothiol-9-ylpyren-1-yl)naphtho[1,2-b][1]benzothiole;8-(7-naphtho[1,2-b][1]benzothiol-8-ylpyren-2-yl)naphtho[1,2-b][1]benzothiole (CID 162017900) is 3-(7-dibenzofuran-3-ylpyren-2-yl)dibenzofuran;2-(6-naphtho[2,3-b][1]benzothiol-2-yl-10b,10c-dihydropyren-1-yl)naphtho[2,3-b][1]benzothiole;2-(5-naphtho[2,3-b][1]benzothiol-2-yl-3,8-diphenylpyren-1-yl)naphtho[2,3-b][1]benzothiole;2-(7-naphtho[2,3-b][1]benzothiol-2-ylpyren-2-yl)naphtho[2,3-b][1]benzothiole;8-(6-naphtho[1,2-b][1]benzothiol-9-ylpyren-1-yl)naphtho[1,2-b][1]benzothiole;8-(7-naphtho[1,2-b][1]benzothiol-8-ylpyren-2-yl)naphtho[1,2-b][1]benzothiole.
What is the SMILES notation for 3-(7-dibenzofuran-3-ylpyren-2-yl)dibenzofuran;2-(6-naphtho[2,3-b][1]benzothiol-2-yl-10b,10c-dihydropyren-1-yl)naphtho[2,3-b][1]benzothiole;2-(5-naphtho[2,3-b][1]benzothiol-2-yl-3,8-diphenylpyren-1-yl)naphtho[2,3-b][1]benzothiole;2-(7-naphtho[2,3-b][1]benzothiol-2-ylpyren-2-yl)naphtho[2,3-b][1]benzothiole;8-(6-naphtho[1,2-b][1]benzothiol-9-ylpyren-1-yl)naphtho[1,2-b][1]benzothiole;8-(7-naphtho[1,2-b][1]benzothiol-8-ylpyren-2-yl)naphtho[1,2-b][1]benzothiole?
The canonical SMILES for 3-(7-dibenzofuran-3-ylpyren-2-yl)dibenzofuran;2-(6-naphtho[2,3-b][1]benzothiol-2-yl-10b,10c-dihydropyren-1-yl)naphtho[2,3-b][1]benzothiole;2-(5-naphtho[2,3-b][1]benzothiol-2-yl-3,8-diphenylpyren-1-yl)naphtho[2,3-b][1]benzothiole;2-(7-naphtho[2,3-b][1]benzothiol-2-ylpyren-2-yl)naphtho[2,3-b][1]benzothiole;8-(6-naphtho[1,2-b][1]benzothiol-9-ylpyren-1-yl)naphtho[1,2-b][1]benzothiole;8-(7-naphtho[1,2-b][1]benzothiol-8-ylpyren-2-yl)naphtho[1,2-b][1]benzothiole is C1=CC2=C(c3ccc4sc5cc6ccccc6cc5c4c3)C=CC3=CC=C4C(c5ccc6sc7cc8ccccc8cc7c6c5)=CC=C1C4C32.c1ccc(-c2ccc3c(-c4ccc5sc6cc7ccccc7cc6c5c4)cc4c(-c5ccccc5)cc(-c5ccc6sc7cc8ccccc8cc7c6c5)c5ccc2c3c54)cc1.c1ccc2c(c1)ccc1c3cc(-c4cc5ccc6cc(-c7ccc8sc9c%10ccccc%10ccc9c8c7)cc7ccc(c4)c5c67)ccc3sc21.c1ccc2c(c1)ccc1c3ccc(-c4ccc5ccc6c(-c7ccc8sc9c%10ccccc%10ccc9c8c7)ccc7ccc4c5c76)cc3sc21.c1ccc2c(c1)oc1cc(-c3cc4ccc5cc(-c6ccc7c(c6)oc6ccccc67)cc6ccc(c3)c4c56)ccc12.c1ccc2cc3c(cc2c1)sc1ccc(-c2cc4ccc5cc(-c6ccc7sc8cc9ccccc9cc8c7c6)cc6ccc(c2)c4c56)cc13.
What is the InChIKey of 3-(7-dibenzofuran-3-ylpyren-2-yl)dibenzofuran;2-(6-naphtho[2,3-b][1]benzothiol-2-yl-10b,10c-dihydropyren-1-yl)naphtho[2,3-b][1]benzothiole;2-(5-naphtho[2,3-b][1]benzothiol-2-yl-3,8-diphenylpyren-1-yl)naphtho[2,3-b][1]benzothiole;2-(7-naphtho[2,3-b][1]benzothiol-2-ylpyren-2-yl)naphtho[2,3-b][1]benzothiole;8-(6-naphtho[1,2-b][1]benzothiol-9-ylpyren-1-yl)naphtho[1,2-b][1]benzothiole;8-(7-naphtho[1,2-b][1]benzothiol-8-ylpyren-2-yl)naphtho[1,2-b][1]benzothiole?
The InChIKey is YUIZDKYQTSNONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34S2.C48H26S2.C48H28S2.2C48H26S2.C40H22O2/c1-3-11-35(12-4-1)43-21-22-45-49(42-20-26-56-51(30-42)53-28-38-16-8-10-18-40(38)32-58(53)62-56)34-54-47(36-13-5-2-6-14-36)33-48(46-24-23-44(43)59(45)60(46)54)41-19-25-55-50(29-41)52-27-37-15-7-9-17-39(37)31-57(52)61-55;1-3-7-35-27(5-1)9-22-40-37-19-15-32(26-44(37)50-47(35)40)34-18-12-30-13-20-38-33(17-11-29-14-21-39(34)46(30)45(29)38)31-16-24-43-42(25-31)41-23-10-28-6-2-4-8-36(28)48(41)49-43;1-3-7-31-25-45-41(21-29(31)5-1)39-23-33(13-19-43(39)49-45)35-15-9-27-12-18-38-36(16-10-28-11-17-37(35)47(27)48(28)38)34-14-20-44-40(24-34)42-22-30-6-2-4-8-32(30)26-46(42)50-44;1-3-7-37-27(5-1)13-17-39-41-25-29(15-19-43(41)49-47(37)39)35-21-31-9-11-33-23-36(24-34-12-10-32(22-35)45(31)46(33)34)30-16-20-44-42(26-30)40-18-14-28-6-2-4-8-38(28)48(40)50-44;1-3-7-29-25-45-41(21-27(29)5-1)39-23-31(13-15-43(39)49-45)37-17-33-9-11-35-19-38(20-36-12-10-34(18-37)47(33)48(35)36)32-14-16-44-40(24-32)42-22-28-6-2-4-8-30(28)26-46(42)50-44;1-3-7-35-31(5-1)33-15-13-23(21-37(33)41-35)29-17-25-9-11-27-19-30(20-28-12-10-26(18-29)39(25)40(27)28)24-14-16-34-32-6-2-4-8-36(32)42-38(34)22-24/h1-34H;1-26H;1-26,47-48H;2*1-26H;1-22H.
What are the key properties of 3-(7-dibenzofuran-3-ylpyren-2-yl)dibenzofuran;2-(6-naphtho[2,3-b][1]benzothiol-2-yl-10b,10c-dihydropyren-1-yl)naphtho[2,3-b][1]benzothiole;2-(5-naphtho[2,3-b][1]benzothiol-2-yl-3,8-diphenylpyren-1-yl)naphtho[2,3-b][1]benzothiole;2-(7-naphtho[2,3-b][1]benzothiol-2-ylpyren-2-yl)naphtho[2,3-b][1]benzothiole;8-(6-naphtho[1,2-b][1]benzothiol-9-ylpyren-1-yl)naphtho[1,2-b][1]benzothiole;8-(7-naphtho[1,2-b][1]benzothiol-8-ylpyren-2-yl)naphtho[1,2-b][1]benzothiole?
3-(7-dibenzofuran-3-ylpyren-2-yl)dibenzofuran;2-(6-naphtho[2,3-b][1]benzothiol-2-yl-10b,10c-dihydropyren-1-yl)naphtho[2,3-b][1]benzothiole;2-(5-naphtho[2,3-b][1]benzothiol-2-yl-3,8-diphenylpyren-1-yl)naphtho[2,3-b][1]benzothiole;2-(7-naphtho[2,3-b][1]benzothiol-2-ylpyren-2-yl)naphtho[2,3-b][1]benzothiole;8-(6-naphtho[1,2-b][1]benzothiol-9-ylpyren-1-yl)naphtho[1,2-b][1]benzothiole;8-(7-naphtho[1,2-b][1]benzothiol-8-ylpyren-2-yl)naphtho[1,2-b][1]benzothiole has a molecular weight of 4023.18 g/mol, XLogP of 88.64, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-dibenzofuran-3-ylpyren-2-yl)dibenzofuran;2-(6-naphtho[2,3-b][1]benzothiol-2-yl-10b,10c-dihydropyren-1-yl)naphtho[2,3-b][1]benzothiole;2-(5-naphtho[2,3-b][1]benzothiol-2-yl-3,8-diphenylpyren-1-yl)naphtho[2,3-b][1]benzothiole;2-(7-naphtho[2,3-b][1]benzothiol-2-ylpyren-2-yl)naphtho[2,3-b][1]benzothiole;8-(6-naphtho[1,2-b][1]benzothiol-9-ylpyren-1-yl)naphtho[1,2-b][1]benzothiole;8-(7-naphtho[1,2-b][1]benzothiol-8-ylpyren-2-yl)naphtho[1,2-b][1]benzothiole is sourced from PubChem (CID 162017900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).