5-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;7-naphthalen-1-yl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;7-naphthalen-2-yl-5-spiro[acridine-9,9'-fluorene]-10-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene

C151H88N8OS3 — CID 159939262

IUPAC5-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;7-naphthalen-1-yl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;7-naphthalen-2-yl-5-spiro[acridine-9,9'-fluorene]-10-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(-c5nc(-c6cccc7ccccc67)c6ccc7sc8ccc9ccccc9c8c7c6n5)cc4)cc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2N(c2nc(-c3ccc4ccccc4c3)c3ccc4sc5ccc6ccccc6c5c4c3n2)c2ccccc21.c1ccc2cc(-c3nc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)nc4c3ccc3sc5ccc6ccccc6c5c34)ccc2c1
InChIInChI=1S/C53H31N3S.C52H31N3S.C46H26N2OS/c1-2-15-34-31-35(26-25-32(34)13-1)50-39-28-30-47-49(48-36-16-4-3-14-33(36)27-29-46(48)57-47)51(39)55-52(54-50)56-44-23-11-9-21-42(44)53(43-22-10-12-24-45(43)56)40-19-7-5-17-37(40)38-18-6-8-20-41(38)53;1-2-14-37(15-3-1)55-44-20-9-8-18-40(44)41-27-25-36(31-45(41)55)32-21-23-35(24-22-32)52-53-50(42-19-10-13-33-11-4-6-16-38(33)42)43-28-30-47-49(51(43)54-52)48-39-17-7-5-12-34(39)26-29-46(48)56-47;1-2-10-31-26-32(21-16-27(31)8-1)43-37-23-25-40-42(41-33-11-4-3-9-28(33)22-24-39(41)50-40)44(37)48-46(47-43)30-19-17-29(18-20-30)34-13-7-14-36-35-12-5-6-15-38(35)49-45(34)36/h1-31H;1-31H;1-26H
InChIKeyOAQVYBUFODBBMU-UHFFFAOYSA-N
MW2126.62 g/mol
LogP41.72
Rot. Bonds9

About 5-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;7-naphthalen-1-yl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;7-naphthalen-2-yl-5-spiro[acridine-9,9'-fluorene]-10-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene

5-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;7-naphthalen-1-yl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;7-naphthalen-2-yl-5-spiro[acridine-9,9'-fluorene]-10-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene (PubChem CID 159939262) has the molecular formula C151H88N8OS3 and a molecular weight of 2126.62 g/mol. Its IUPAC name is 5-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;7-naphthalen-1-yl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;7-naphthalen-2-yl-5-spiro[acridine-9,9'-fluorene]-10-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene.

Molecular Properties

Compound Name5-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;7-naphthalen-1-yl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;7-naphthalen-2-yl-5-spiro[acridine-9,9'-fluorene]-10-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
PubChem CID159939262
Molecular FormulaC151H88N8OS3
Molecular Weight2126.62 g/mol
Exact Mass2124.62
IUPAC Name5-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;7-naphthalen-1-yl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;7-naphthalen-2-yl-5-spiro[acridine-9,9'-fluorene]-10-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(-c5nc(-c6cccc7ccccc67)c6ccc7sc8ccc9ccccc9c8c7c6n5)cc4)cc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2N(c2nc(-c3ccc4ccccc4c3)c3ccc4sc5ccc6ccccc6c5c4c3n2)c2ccccc21.c1ccc2cc(-c3nc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)nc4c3ccc3sc5ccc6ccccc6c5c34)ccc2c1
InChIInChI=1S/C53H31N3S.C52H31N3S.C46H26N2OS/c1-2-15-34-31-35(26-25-32(34)13-1)50-39-28-30-47-49(48-36-16-4-3-14-33(36)27-29-46(48)57-47)51(39)55-52(54-50)56-44-23-11-9-21-42(44)53(43-22-10-12-24-45(43)56)40-19-7-5-17-37(40)38-18-6-8-20-41(38)53;1-2-14-37(15-3-1)55-44-20-9-8-18-40(44)41-27-25-36(31-45(41)55)32-21-23-35(24-22-32)52-53-50(42-19-10-13-33-11-4-6-16-38(33)42)43-28-30-47-49(51(43)54-52)48-39-17-7-5-12-34(39)26-29-46(48)56-47;1-2-10-31-26-32(21-16-27(31)8-1)43-37-23-25-40-42(41-33-11-4-3-9-28(33)22-24-39(41)50-40)44(37)48-46(47-43)30-19-17-29(18-20-30)34-13-7-14-36-35-12-5-6-15-38(35)49-45(34)36/h1-31H;1-31H;1-26H
InChIKeyOAQVYBUFODBBMU-UHFFFAOYSA-N
XLogP41.72
TPSA98.65 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002126.62
LogP ≤ 541.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;7-naphthalen-1-yl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;7-naphthalen-2-yl-5-spiro[acridine-9,9'-fluorene]-10-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene with MolForge

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Related Compounds

2-[6-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 139342501
2-[6-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342492
5-dibenzofuran-3-yl-7-naphthalen-1-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 154600953
2-[9-(6-dibenzofuran-4-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole
CID 126753605
4-(4-dibenzofuran-4-ylphenyl)-2,6-diphenylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-6-naphthalen-2-yl-2-phenylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;9-[4-[4-[6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole;9-[4-[4-[6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 158954021
28-(4-naphtho[2,1-b][1]benzothiol-8-ylquinazolin-2-yl)-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;28-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene;28-[4-(4-phenylquinazolin-2-yl)phenyl]-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene
CID 158913681
2-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 168768047
6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole
CID 126682058
3-dibenzofuran-3-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-4-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzothiophen-2-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 164995701
2,4-bis(4-dibenzofuran-4-ylphenyl)-8-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 134399270
3-[3-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]-9-phenylcarbazole;3-[3-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]-9-phenylcarbazole;2-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzothiophene;2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzothiophene;2-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzothiophene
CID 161110671
2-[4-[4-dibenzofuran-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 165160169

Frequently Asked Questions

What is the IUPAC name of 5-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;7-naphthalen-1-yl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;7-naphthalen-2-yl-5-spiro[acridine-9,9'-fluorene]-10-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene?
The IUPAC name of 5-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;7-naphthalen-1-yl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;7-naphthalen-2-yl-5-spiro[acridine-9,9'-fluorene]-10-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene (CID 159939262) is 5-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;7-naphthalen-1-yl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;7-naphthalen-2-yl-5-spiro[acridine-9,9'-fluorene]-10-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene.
What is the SMILES notation for 5-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;7-naphthalen-1-yl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;7-naphthalen-2-yl-5-spiro[acridine-9,9'-fluorene]-10-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene?
The canonical SMILES for 5-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;7-naphthalen-1-yl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;7-naphthalen-2-yl-5-spiro[acridine-9,9'-fluorene]-10-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene is c1ccc(-n2c3ccccc3c3ccc(-c4ccc(-c5nc(-c6cccc7ccccc67)c6ccc7sc8ccc9ccccc9c8c7c6n5)cc4)cc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2N(c2nc(-c3ccc4ccccc4c3)c3ccc4sc5ccc6ccccc6c5c4c3n2)c2ccccc21.c1ccc2cc(-c3nc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)nc4c3ccc3sc5ccc6ccccc6c5c34)ccc2c1.
What is the InChIKey of 5-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;7-naphthalen-1-yl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;7-naphthalen-2-yl-5-spiro[acridine-9,9'-fluorene]-10-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene?
The InChIKey is OAQVYBUFODBBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31N3S.C52H31N3S.C46H26N2OS/c1-2-15-34-31-35(26-25-32(34)13-1)50-39-28-30-47-49(48-36-16-4-3-14-33(36)27-29-46(48)57-47)51(39)55-52(54-50)56-44-23-11-9-21-42(44)53(43-22-10-12-24-45(43)56)40-19-7-5-17-37(40)38-18-6-8-20-41(38)53;1-2-14-37(15-3-1)55-44-20-9-8-18-40(44)41-27-25-36(31-45(41)55)32-21-23-35(24-22-32)52-53-50(42-19-10-13-33-11-4-6-16-38(33)42)43-28-30-47-49(51(43)54-52)48-39-17-7-5-12-34(39)26-29-46(48)56-47;1-2-10-31-26-32(21-16-27(31)8-1)43-37-23-25-40-42(41-33-11-4-3-9-28(33)22-24-39(41)50-40)44(37)48-46(47-43)30-19-17-29(18-20-30)34-13-7-14-36-35-12-5-6-15-38(35)49-45(34)36/h1-31H;1-31H;1-26H.
What are the key properties of 5-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;7-naphthalen-1-yl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;7-naphthalen-2-yl-5-spiro[acridine-9,9'-fluorene]-10-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene?
5-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;7-naphthalen-1-yl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;7-naphthalen-2-yl-5-spiro[acridine-9,9'-fluorene]-10-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene has a molecular weight of 2126.62 g/mol, XLogP of 41.72, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;7-naphthalen-1-yl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;7-naphthalen-2-yl-5-spiro[acridine-9,9'-fluorene]-10-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene is sourced from PubChem (CID 159939262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).