4-N'-dibenzofuran-4-yl-3-N-dibenzothiophen-2-yl-3-N,4-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3,4'-diamine;16-N-dibenzofuran-2-yl-16-N'-dibenzothiophen-2-yl-16-N,16-N'-diphenyl-9-thiaoctacyclo[13.12.1.11,17.02,10.03,8.011,28.022,27.021,29]nonacosa-2(10),3,5,7,11(28),12,14,17,19,21(29),22,24,26-tridecaene-16,16-diamine;4-N-dibenzothiophen-4-yl-3-N',3-N',4-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine

C184H112N6O2S6 — CID 159528287

About 4-N'-dibenzofuran-4-yl-3-N-dibenzothiophen-2-yl-3-N,4-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3,4'-diamine;16-N-dibenzofuran-2-yl-16-N'-dibenzothiophen-2-yl-16-N,16-N'-diphenyl-9-thiaoctacyclo[13.12.1.11,17.02,10.03,8.011,28.022,27.021,29]nonacosa-2(10),3,5,7,11(28),12,14,17,19,21(29),22,24,26-tridecaene-16,16-diamine;4-N-dibenzothiophen-4-yl-3-N',3-N',4-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine

4-N'-dibenzofuran-4-yl-3-N-dibenzothiophen-2-yl-3-N,4-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3,4'-diamine;16-N-dibenzofuran-2-yl-16-N'-dibenzothiophen-2-yl-16-N,16-N'-diphenyl-9-thiaoctacyclo[13.12.1.11,17.02,10.03,8.011,28.022,27.021,29]nonacosa-2(10),3,5,7,11(28),12,14,17,19,21(29),22,24,26-tridecaene-16,16-diamine;4-N-dibenzothiophen-4-yl-3-N',3-N',4-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine (PubChem CID 159528287) has the molecular formula C184H112N6O2S6 and a molecular weight of 2631.36 g/mol. Its IUPAC name is 4-N'-dibenzofuran-4-yl-3-N-dibenzothiophen-2-yl-3-N,4-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3,4'-diamine;16-N-dibenzofuran-2-yl-16-N'-dibenzothiophen-2-yl-16-N,16-N'-diphenyl-9-thiaoctacyclo[13.12.1.11,17.02,10.03,8.011,28.022,27.021,29]nonacosa-2(10),3,5,7,11(28),12,14,17,19,21(29),22,24,26-tridecaene-16,16-diamine;4-N-dibenzothiophen-4-yl-3-N',3-N',4-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine.

Molecular Properties

• Compound Name: 4-N'-dibenzofuran-4-yl-3-N-dibenzothiophen-2-yl-3-N,4-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3,4'-diamine;16-N-dibenzofuran-2-yl-16-N'-dibenzothiophen-2-yl-16-N,16-N'-diphenyl-9-thiaoctacyclo[13.12.1.11,17.02,10.03,8.011,28.022,27.021,29]nonacosa-2(10),3,5,7,11(28),12,14,17,19,21(29),22,24,26-tridecaene-16,16-diamine;4-N-dibenzothiophen-4-yl-3-N',3-N',4-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine
• PubChem CID: 159528287
• Molecular Formula: C184H112N6O2S6
• Molecular Weight: 2631.36 g/mol
• Exact Mass: 2628.72
• IUPAC Name: 4-N'-dibenzofuran-4-yl-3-N-dibenzothiophen-2-yl-3-N,4-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3,4'-diamine;16-N-dibenzofuran-2-yl-16-N'-dibenzothiophen-2-yl-16-N,16-N'-diphenyl-9-thiaoctacyclo[13.12.1.11,17.02,10.03,8.011,28.022,27.021,29]nonacosa-2(10),3,5,7,11(28),12,14,17,19,21(29),22,24,26-tridecaene-16,16-diamine;4-N-dibenzothiophen-4-yl-3-N',3-N',4-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine
• SMILES: c1ccc(N(c2ccc3c(c2)-c2ccccc2C32c3cccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)c3-c3sc4ccccc4c32)c2ccc3sc4ccccc4c3c2)cc1.c1ccc(N(c2ccc3oc4ccccc4c3c2)C2(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)c3cccc4c3C3(c5ccccc5-4)c4c(cccc42)-c2sc4ccccc4c23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)-c2sc4ccccc4c2C32c3ccccc3-c3c(N(c4ccccc4)c4cccc5c4sc4ccccc45)cccc32)cc1
• InChI: InChI=1S/C64H38N2OS2.C63H38N2OS2.C57H36N2S2/c1-3-17-39(18-4-1)65(41-33-35-55-49(37-41)44-22-8-12-30-54(44)67-55)64(66(40-19-5-2-6-20-40)42-34-36-58-50(38-42)45-23-9-13-31-56(45)68-58)52-28-15-25-46-43-21-7-11-27-51(43)63(59(46)52)60-48(26-16-29-53(60)64)62-61(63)47-24-10-14-32-57(47)69-62;1-3-17-39(18-4-1)64(42-34-36-58-49(38-42)45-23-9-13-31-56(45)67-58)41-33-35-51-48(37-41)43-21-7-11-26-50(43)63(51)52-27-16-28-53(59(52)62-60(63)47-24-10-14-32-57(47)68-62)65(40-19-5-2-6-20-40)54-29-15-25-46-44-22-8-12-30-55(44)66-61(46)54;1-4-18-37(19-5-1)58(38-20-6-2-7-21-38)40-34-35-47-45(36-40)56-54(44-26-12-15-33-52(44)61-56)57(47)46-28-13-10-25-43(46)53-48(57)29-17-30-49(53)59(39-22-8-3-9-23-39)50-31-16-27-42-41-24-11-14-32-51(41)60-55(42)50/h1-38H;1-38H;1-36H
• InChIKey: MCQTZHCHXSEUBC-UHFFFAOYSA-N
• XLogP: 52.71
• TPSA: 45.72 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2631.36
LogP ≤ 5	52.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N'-dibenzofuran-4-yl-3-N-dibenzothiophen-2-yl-3-N,4-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3,4'-diamine;16-N-dibenzofuran-2-yl-16-N'-dibenzothiophen-2-yl-16-N,16-N'-diphenyl-9-thiaoctacyclo[13.12.1.11,17.02,10.03,8.011,28.022,27.021,29]nonacosa-2(10),3,5,7,11(28),12,14,17,19,21(29),22,24,26-tridecaene-16,16-diamine;4-N-dibenzothiophen-4-yl-3-N',3-N',4-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine?

The IUPAC name of 4-N'-dibenzofuran-4-yl-3-N-dibenzothiophen-2-yl-3-N,4-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3,4'-diamine;16-N-dibenzofuran-2-yl-16-N'-dibenzothiophen-2-yl-16-N,16-N'-diphenyl-9-thiaoctacyclo[13.12.1.11,17.02,10.03,8.011,28.022,27.021,29]nonacosa-2(10),3,5,7,11(28),12,14,17,19,21(29),22,24,26-tridecaene-16,16-diamine;4-N-dibenzothiophen-4-yl-3-N',3-N',4-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine (CID 159528287) is 4-N'-dibenzofuran-4-yl-3-N-dibenzothiophen-2-yl-3-N,4-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3,4'-diamine;16-N-dibenzofuran-2-yl-16-N'-dibenzothiophen-2-yl-16-N,16-N'-diphenyl-9-thiaoctacyclo[13.12.1.11,17.02,10.03,8.011,28.022,27.021,29]nonacosa-2(10),3,5,7,11(28),12,14,17,19,21(29),22,24,26-tridecaene-16,16-diamine;4-N-dibenzothiophen-4-yl-3-N',3-N',4-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine.

What is the SMILES notation for 4-N'-dibenzofuran-4-yl-3-N-dibenzothiophen-2-yl-3-N,4-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3,4'-diamine;16-N-dibenzofuran-2-yl-16-N'-dibenzothiophen-2-yl-16-N,16-N'-diphenyl-9-thiaoctacyclo[13.12.1.11,17.02,10.03,8.011,28.022,27.021,29]nonacosa-2(10),3,5,7,11(28),12,14,17,19,21(29),22,24,26-tridecaene-16,16-diamine;4-N-dibenzothiophen-4-yl-3-N',3-N',4-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine?

The canonical SMILES for 4-N'-dibenzofuran-4-yl-3-N-dibenzothiophen-2-yl-3-N,4-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3,4'-diamine;16-N-dibenzofuran-2-yl-16-N'-dibenzothiophen-2-yl-16-N,16-N'-diphenyl-9-thiaoctacyclo[13.12.1.11,17.02,10.03,8.011,28.022,27.021,29]nonacosa-2(10),3,5,7,11(28),12,14,17,19,21(29),22,24,26-tridecaene-16,16-diamine;4-N-dibenzothiophen-4-yl-3-N',3-N',4-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine is c1ccc(N(c2ccc3c(c2)-c2ccccc2C32c3cccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)c3-c3sc4ccccc4c32)c2ccc3sc4ccccc4c3c2)cc1.c1ccc(N(c2ccc3oc4ccccc4c3c2)C2(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)c3cccc4c3C3(c5ccccc5-4)c4c(cccc42)-c2sc4ccccc4c23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)-c2sc4ccccc4c2C32c3ccccc3-c3c(N(c4ccccc4)c4cccc5c4sc4ccccc45)cccc32)cc1.

What is the InChIKey of 4-N'-dibenzofuran-4-yl-3-N-dibenzothiophen-2-yl-3-N,4-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3,4'-diamine;16-N-dibenzofuran-2-yl-16-N'-dibenzothiophen-2-yl-16-N,16-N'-diphenyl-9-thiaoctacyclo[13.12.1.11,17.02,10.03,8.011,28.022,27.021,29]nonacosa-2(10),3,5,7,11(28),12,14,17,19,21(29),22,24,26-tridecaene-16,16-diamine;4-N-dibenzothiophen-4-yl-3-N',3-N',4-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine?

The InChIKey is MCQTZHCHXSEUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38N2OS2.C63H38N2OS2.C57H36N2S2/c1-3-17-39(18-4-1)65(41-33-35-55-49(37-41)44-22-8-12-30-54(44)67-55)64(66(40-19-5-2-6-20-40)42-34-36-58-50(38-42)45-23-9-13-31-56(45)68-58)52-28-15-25-46-43-21-7-11-27-51(43)63(59(46)52)60-48(26-16-29-53(60)64)62-61(63)47-24-10-14-32-57(47)69-62;1-3-17-39(18-4-1)64(42-34-36-58-49(38-42)45-23-9-13-31-56(45)67-58)41-33-35-51-48(37-41)43-21-7-11-26-50(43)63(51)52-27-16-28-53(59(52)62-60(63)47-24-10-14-32-57(47)68-62)65(40-19-5-2-6-20-40)54-29-15-25-46-44-22-8-12-30-55(44)66-61(46)54;1-4-18-37(19-5-1)58(38-20-6-2-7-21-38)40-34-35-47-45(36-40)56-54(44-26-12-15-33-52(44)61-56)57(47)46-28-13-10-25-43(46)53-48(57)29-17-30-49(53)59(39-22-8-3-9-23-39)50-31-16-27-42-41-24-11-14-32-51(41)60-55(42)50/h1-38H;1-38H;1-36H.

What are the key properties of 4-N'-dibenzofuran-4-yl-3-N-dibenzothiophen-2-yl-3-N,4-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3,4'-diamine;16-N-dibenzofuran-2-yl-16-N'-dibenzothiophen-2-yl-16-N,16-N'-diphenyl-9-thiaoctacyclo[13.12.1.11,17.02,10.03,8.011,28.022,27.021,29]nonacosa-2(10),3,5,7,11(28),12,14,17,19,21(29),22,24,26-tridecaene-16,16-diamine;4-N-dibenzothiophen-4-yl-3-N',3-N',4-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine?

4-N'-dibenzofuran-4-yl-3-N-dibenzothiophen-2-yl-3-N,4-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3,4'-diamine;16-N-dibenzofuran-2-yl-16-N'-dibenzothiophen-2-yl-16-N,16-N'-diphenyl-9-thiaoctacyclo[13.12.1.11,17.02,10.03,8.011,28.022,27.021,29]nonacosa-2(10),3,5,7,11(28),12,14,17,19,21(29),22,24,26-tridecaene-16,16-diamine;4-N-dibenzothiophen-4-yl-3-N',3-N',4-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine has a molecular weight of 2631.36 g/mol, XLogP of 52.71, 18 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N'-dibenzofuran-4-yl-3-N-dibenzothiophen-2-yl-3-N,4-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3,4'-diamine;16-N-dibenzofuran-2-yl-16-N'-dibenzothiophen-2-yl-16-N,16-N'-diphenyl-9-thiaoctacyclo[13.12.1.11,17.02,10.03,8.011,28.022,27.021,29]nonacosa-2(10),3,5,7,11(28),12,14,17,19,21(29),22,24,26-tridecaene-16,16-diamine;4-N-dibenzothiophen-4-yl-3-N',3-N',4-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine is sourced from PubChem (CID 159528287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).