3,6-bis(10-phenylphenothiazin-3-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(10-phenylphenoxazin-3-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(7,12,12-trimethylbenzo[a]acridin-10-yl)furo[3,2-b]furan-2,5-dione

C184H128N8O18S2 — CID 162003173

IUPAC3,6-bis(10-phenylphenothiazin-3-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(10-phenylphenoxazin-3-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(7,12,12-trimethylbenzo[a]acridin-10-yl)furo[3,2-b]furan-2,5-dione
SMILESCC1(C)c2ccccc2N2c3ccc(C4=C5OC(=O)C(c6ccc7c(c6)C(C)(C)c6cccc8c6N7c6ccccc6C8(C)C)=C5OC4=O)cc3C(C)(C)c3cccc1c32.CN1c2ccc(C3=C4OC(=O)C(c5ccc6c(c5)C(C)(C)c5c(ccc7ccccc57)N6C)=C4OC3=O)cc2C(C)(C)c2c1ccc1ccccc21.O=C1OC2=C(c3ccc4c(c3)Oc3ccccc3N4c3ccccc3)C(=O)OC2=C1c1ccc2c(c1)Oc1ccccc1N2c1ccccc1.O=C1OC2=C(c3ccc4c(c3)Sc3ccccc3N4c3ccccc3)C(=O)OC2=C1c1ccc2c(c1)Sc1ccccc1N2c1ccccc1
InChIInChI=1S/C54H44N2O4.C46H36N2O4.C42H24N2O6.C42H24N2O4S2/c1-51(2)31-15-9-11-21-39(31)55-41-25-23-29(27-37(41)53(5,6)35-19-13-17-33(51)45(35)55)43-47-48(60-49(43)57)44(50(58)59-47)30-24-26-42-38(28-30)54(7,8)36-20-14-18-34-46(36)56(42)40-22-12-10-16-32(40)52(34,3)4;1-45(2)31-23-27(17-19-33(31)47(5)35-21-15-25-11-7-9-13-29(25)39(35)45)37-41-42(52-43(37)49)38(44(50)51-41)28-18-20-34-32(24-28)46(3,4)40-30-14-10-8-12-26(30)16-22-36(40)48(34)6;45-41-37(25-19-21-31-35(23-25)47-33-17-9-7-15-29(33)43(31)27-11-3-1-4-12-27)39-40(50-41)38(42(46)49-39)26-20-22-32-36(24-26)48-34-18-10-8-16-30(34)44(32)28-13-5-2-6-14-28;45-41-37(25-19-21-31-35(23-25)49-33-17-9-7-15-29(33)43(31)27-11-3-1-4-12-27)39-40(48-41)38(42(46)47-39)26-20-22-32-36(24-26)50-34-18-10-8-16-30(34)44(32)28-13-5-2-6-14-28/h9-28H,1-8H3;7-24H,1-6H3;2*1-24H
InChIKeyYSMHRBIHWWPJMN-UHFFFAOYSA-N
MW2803.22 g/mol
LogP43.33
Rot. Bonds12

About 3,6-bis(10-phenylphenothiazin-3-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(10-phenylphenoxazin-3-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(7,12,12-trimethylbenzo[a]acridin-10-yl)furo[3,2-b]furan-2,5-dione

3,6-bis(10-phenylphenothiazin-3-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(10-phenylphenoxazin-3-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(7,12,12-trimethylbenzo[a]acridin-10-yl)furo[3,2-b]furan-2,5-dione (PubChem CID 162003173) has the molecular formula C184H128N8O18S2 and a molecular weight of 2803.22 g/mol. Its IUPAC name is 3,6-bis(10-phenylphenothiazin-3-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(10-phenylphenoxazin-3-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(7,12,12-trimethylbenzo[a]acridin-10-yl)furo[3,2-b]furan-2,5-dione.

Molecular Properties

Compound Name3,6-bis(10-phenylphenothiazin-3-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(10-phenylphenoxazin-3-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(7,12,12-trimethylbenzo[a]acridin-10-yl)furo[3,2-b]furan-2,5-dione
PubChem CID162003173
Molecular FormulaC184H128N8O18S2
Molecular Weight2803.22 g/mol
Exact Mass2800.88
IUPAC Name3,6-bis(10-phenylphenothiazin-3-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(10-phenylphenoxazin-3-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(7,12,12-trimethylbenzo[a]acridin-10-yl)furo[3,2-b]furan-2,5-dione
SMILESCC1(C)c2ccccc2N2c3ccc(C4=C5OC(=O)C(c6ccc7c(c6)C(C)(C)c6cccc8c6N7c6ccccc6C8(C)C)=C5OC4=O)cc3C(C)(C)c3cccc1c32.CN1c2ccc(C3=C4OC(=O)C(c5ccc6c(c5)C(C)(C)c5c(ccc7ccccc57)N6C)=C4OC3=O)cc2C(C)(C)c2c1ccc1ccccc21.O=C1OC2=C(c3ccc4c(c3)Oc3ccccc3N4c3ccccc3)C(=O)OC2=C1c1ccc2c(c1)Oc1ccccc1N2c1ccccc1.O=C1OC2=C(c3ccc4c(c3)Sc3ccccc3N4c3ccccc3)C(=O)OC2=C1c1ccc2c(c1)Sc1ccccc1N2c1ccccc1
InChIInChI=1S/C54H44N2O4.C46H36N2O4.C42H24N2O6.C42H24N2O4S2/c1-51(2)31-15-9-11-21-39(31)55-41-25-23-29(27-37(41)53(5,6)35-19-13-17-33(51)45(35)55)43-47-48(60-49(43)57)44(50(58)59-47)30-24-26-42-38(28-30)54(7,8)36-20-14-18-34-46(36)56(42)40-22-12-10-16-32(40)52(34,3)4;1-45(2)31-23-27(17-19-33(31)47(5)35-21-15-25-11-7-9-13-29(25)39(35)45)37-41-42(52-43(37)49)38(44(50)51-41)28-18-20-34-32(24-28)46(3,4)40-30-14-10-8-12-26(30)16-22-36(40)48(34)6;45-41-37(25-19-21-31-35(23-25)47-33-17-9-7-15-29(33)43(31)27-11-3-1-4-12-27)39-40(50-41)38(42(46)49-39)26-20-22-32-36(24-26)48-34-18-10-8-16-30(34)44(32)28-13-5-2-6-14-28;45-41-37(25-19-21-31-35(23-25)49-33-17-9-7-15-29(33)43(31)27-11-3-1-4-12-27)39-40(48-41)38(42(46)47-39)26-20-22-32-36(24-26)50-34-18-10-8-16-30(34)44(32)28-13-5-2-6-14-28/h9-28H,1-8H3;7-24H,1-6H3;2*1-24H
InChIKeyYSMHRBIHWWPJMN-UHFFFAOYSA-N
XLogP43.33
TPSA254.78 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds12
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002803.22
LogP ≤ 543.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 3,6-bis(10-phenylphenothiazin-3-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(10-phenylphenoxazin-3-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(7,12,12-trimethylbenzo[a]acridin-10-yl)furo[3,2-b]furan-2,5-dione with MolForge

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Related Compounds

9,9-dimethyl-10-phenyl-2-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]acridine;10-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenoxazine;10-phenyl-3-[9-phenyl-6-(10-phenylphenothiazin-3-yl)carbazol-3-yl]phenoxazine
CID 161400773
6-(12,12-dimethyl-7-phenylbenzo[a]acridin-3-yl)-3-(4-fluorophenyl)furo[3,2-b]furan-2,5-dione
CID 118655381
3-[9,9-dimethyl-10-(4-methylphenyl)acridin-2-yl]-6-[10-(4-methoxyphenyl)-9,9-dimethylacridin-2-yl]furo[3,2-b]furan-2,5-dione
CID 118655432
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3-phenothiazin-10-yl-5-(6-phenyl-2-pyridinyl)phenyl]phenothiazine
CID 158999619
3,6-bis(10-tert-butyl-9,9-dimethylacridin-2-yl)furo[3,2-b]furan-2,5-dione;3,6-bis[4-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)phenyl]furo[3,2-b]furan-2,5-dione;3,6-bis[4-(N-methylanilino)phenyl]furo[3,2-b]furan-2,5-dione;3,6-bis[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]furo[3,2-b]furan-2,5-dione;3,6-bis(9,9,10-trimethylacridin-2-yl)furo[3,2-b]furan-2,5-dione
CID 157165524
8,8,14,14-tetramethyl-5-(2-naphthalen-1-ylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 70892961
10-[4-(7,27-dithia-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaen-17-yl)phenyl]phenoxazine;17-phenothiazin-10-yl-7,27-dioxa-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaene;10-[4-(7,7,27,27-tetramethyl-14,20-diaza-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaen-17-yl)phenyl]phenoxazine
CID 158079809
3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-10-phenylacridin-2-yl]-10-phenylphenoxazine
CID 134579019
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(10-phenylphenothiazin-3-yl)phenoxazine
CID 118528360
14,14-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-17-amine
CID 170656255
N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine;N-[4-(4-methoxyphenyl)phenyl]-10-phenyl-N-[4-(10-phenylspiro[acridine-9,1'-cyclopentane]-2-yl)phenyl]phenoxazin-3-amine;10-phenyl-N-[4-(10-phenylphenothiazin-3-yl)phenyl]-N-(4-phenylphenyl)phenoxazin-3-amine
CID 158449090
14,14-dimethyl-11-(9-phenylcarbazol-3-yl)-8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 67416472

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(10-phenylphenothiazin-3-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(10-phenylphenoxazin-3-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(7,12,12-trimethylbenzo[a]acridin-10-yl)furo[3,2-b]furan-2,5-dione?
The IUPAC name of 3,6-bis(10-phenylphenothiazin-3-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(10-phenylphenoxazin-3-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(7,12,12-trimethylbenzo[a]acridin-10-yl)furo[3,2-b]furan-2,5-dione (CID 162003173) is 3,6-bis(10-phenylphenothiazin-3-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(10-phenylphenoxazin-3-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(7,12,12-trimethylbenzo[a]acridin-10-yl)furo[3,2-b]furan-2,5-dione.
What is the SMILES notation for 3,6-bis(10-phenylphenothiazin-3-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(10-phenylphenoxazin-3-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(7,12,12-trimethylbenzo[a]acridin-10-yl)furo[3,2-b]furan-2,5-dione?
The canonical SMILES for 3,6-bis(10-phenylphenothiazin-3-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(10-phenylphenoxazin-3-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(7,12,12-trimethylbenzo[a]acridin-10-yl)furo[3,2-b]furan-2,5-dione is CC1(C)c2ccccc2N2c3ccc(C4=C5OC(=O)C(c6ccc7c(c6)C(C)(C)c6cccc8c6N7c6ccccc6C8(C)C)=C5OC4=O)cc3C(C)(C)c3cccc1c32.CN1c2ccc(C3=C4OC(=O)C(c5ccc6c(c5)C(C)(C)c5c(ccc7ccccc57)N6C)=C4OC3=O)cc2C(C)(C)c2c1ccc1ccccc21.O=C1OC2=C(c3ccc4c(c3)Oc3ccccc3N4c3ccccc3)C(=O)OC2=C1c1ccc2c(c1)Oc1ccccc1N2c1ccccc1.O=C1OC2=C(c3ccc4c(c3)Sc3ccccc3N4c3ccccc3)C(=O)OC2=C1c1ccc2c(c1)Sc1ccccc1N2c1ccccc1.
What is the InChIKey of 3,6-bis(10-phenylphenothiazin-3-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(10-phenylphenoxazin-3-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(7,12,12-trimethylbenzo[a]acridin-10-yl)furo[3,2-b]furan-2,5-dione?
The InChIKey is YSMHRBIHWWPJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H44N2O4.C46H36N2O4.C42H24N2O6.C42H24N2O4S2/c1-51(2)31-15-9-11-21-39(31)55-41-25-23-29(27-37(41)53(5,6)35-19-13-17-33(51)45(35)55)43-47-48(60-49(43)57)44(50(58)59-47)30-24-26-42-38(28-30)54(7,8)36-20-14-18-34-46(36)56(42)40-22-12-10-16-32(40)52(34,3)4;1-45(2)31-23-27(17-19-33(31)47(5)35-21-15-25-11-7-9-13-29(25)39(35)45)37-41-42(52-43(37)49)38(44(50)51-41)28-18-20-34-32(24-28)46(3,4)40-30-14-10-8-12-26(30)16-22-36(40)48(34)6;45-41-37(25-19-21-31-35(23-25)47-33-17-9-7-15-29(33)43(31)27-11-3-1-4-12-27)39-40(50-41)38(42(46)49-39)26-20-22-32-36(24-26)48-34-18-10-8-16-30(34)44(32)28-13-5-2-6-14-28;45-41-37(25-19-21-31-35(23-25)49-33-17-9-7-15-29(33)43(31)27-11-3-1-4-12-27)39-40(48-41)38(42(46)47-39)26-20-22-32-36(24-26)50-34-18-10-8-16-30(34)44(32)28-13-5-2-6-14-28/h9-28H,1-8H3;7-24H,1-6H3;2*1-24H.
What are the key properties of 3,6-bis(10-phenylphenothiazin-3-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(10-phenylphenoxazin-3-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(7,12,12-trimethylbenzo[a]acridin-10-yl)furo[3,2-b]furan-2,5-dione?
3,6-bis(10-phenylphenothiazin-3-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(10-phenylphenoxazin-3-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(7,12,12-trimethylbenzo[a]acridin-10-yl)furo[3,2-b]furan-2,5-dione has a molecular weight of 2803.22 g/mol, XLogP of 43.33, 12 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(10-phenylphenothiazin-3-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(10-phenylphenoxazin-3-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)furo[3,2-b]furan-2,5-dione;3,6-bis(7,12,12-trimethylbenzo[a]acridin-10-yl)furo[3,2-b]furan-2,5-dione is sourced from PubChem (CID 162003173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).