4-N-dibenzofuran-2-yl-4-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine;2-N,4-N'-di(dibenzofuran-2-yl)-2-N,4-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,4'-diamine;2-N-(9,9-diphenylfluoren-2-yl)-2-N,3-N',3-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,3'-diamine;2-N'-phenanthren-9-yl-2-N',4-N-diphenyl-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',4-diamine

C255H162N8O3S4 — CID 159017223

About 4-N-dibenzofuran-2-yl-4-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine;2-N,4-N'-di(dibenzofuran-2-yl)-2-N,4-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,4'-diamine;2-N-(9,9-diphenylfluoren-2-yl)-2-N,3-N',3-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,3'-diamine;2-N'-phenanthren-9-yl-2-N',4-N-diphenyl-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',4-diamine

4-N-dibenzofuran-2-yl-4-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine;2-N,4-N'-di(dibenzofuran-2-yl)-2-N,4-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,4'-diamine;2-N-(9,9-diphenylfluoren-2-yl)-2-N,3-N',3-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,3'-diamine;2-N'-phenanthren-9-yl-2-N',4-N-diphenyl-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',4-diamine (PubChem CID 159017223) has the molecular formula C255H162N8O3S4 and a molecular weight of 3514.42 g/mol. Its IUPAC name is 4-N-dibenzofuran-2-yl-4-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine;2-N,4-N'-di(dibenzofuran-2-yl)-2-N,4-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,4'-diamine;2-N-(9,9-diphenylfluoren-2-yl)-2-N,3-N',3-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,3'-diamine;2-N'-phenanthren-9-yl-2-N',4-N-diphenyl-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',4-diamine.

Molecular Properties

• Compound Name: 4-N-dibenzofuran-2-yl-4-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine;2-N,4-N'-di(dibenzofuran-2-yl)-2-N,4-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,4'-diamine;2-N-(9,9-diphenylfluoren-2-yl)-2-N,3-N',3-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,3'-diamine;2-N'-phenanthren-9-yl-2-N',4-N-diphenyl-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',4-diamine
• PubChem CID: 159017223
• Molecular Formula: C255H162N8O3S4
• Molecular Weight: 3514.42 g/mol
• Exact Mass: 3511.17
• IUPAC Name: 4-N-dibenzofuran-2-yl-4-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine;2-N,4-N'-di(dibenzofuran-2-yl)-2-N,4-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,4'-diamine;2-N-(9,9-diphenylfluoren-2-yl)-2-N,3-N',3-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,3'-diamine;2-N'-phenanthren-9-yl-2-N',4-N-diphenyl-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',4-diamine
• SMILES: c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4cc(N(c5ccccc5)c5cc6ccccc6c6ccccc56)ccc4-c4sc5ccccc5c43)cc2)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3cccc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)c3-c3sc4ccccc4c32)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cccc3c2-c2ccccc2C32c3cccc(N(c4ccccc4)c4ccccc4)c3-c3sc4ccccc4c32)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)-c2sc4ccccc4c2C32c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc32)cc1
• InChI: InChI=1S/C70H46N2S.C65H42N2S.C63H38N2O2S.C57H36N2OS/c1-6-22-47(23-7-1)69(48-24-8-2-9-25-48)61-35-19-16-32-55(61)57-41-38-53(45-64(57)69)72(51-30-14-5-15-31-51)54-39-42-58-56-33-17-20-36-62(56)70(65(58)46-54)63-43-40-52(44-60(63)68-67(70)59-34-18-21-37-66(59)73-68)71(49-26-10-3-11-27-49)50-28-12-4-13-29-50;1-4-19-43(20-5-1)44-35-37-48(38-36-44)66(46-22-6-2-7-23-46)59-33-18-32-57-62(59)53-29-14-16-31-56(53)65(57)58-42-49(39-40-54(58)64-63(65)55-30-15-17-34-61(55)68-64)67(47-24-8-3-9-25-47)60-41-45-21-10-11-26-50(45)51-27-12-13-28-52(51)60;1-3-16-39(17-4-1)64(41-31-34-57-49(36-41)46-21-8-12-27-55(46)66-57)43-30-33-45-44-20-7-11-24-51(44)63(53(45)38-43)52-25-15-26-54(60(52)62-61(63)48-23-10-14-29-59(48)68-62)65(40-18-5-2-6-19-40)42-32-35-58-50(37-42)47-22-9-13-28-56(47)67-58;1-4-18-37(19-5-1)58(38-20-6-2-7-21-38)49-31-17-29-47-54(49)56-55(43-26-12-15-33-52(43)61-56)57(47)45-27-13-10-25-42(45)53-46(57)28-16-30-48(53)59(39-22-8-3-9-23-39)40-34-35-51-44(36-40)41-24-11-14-32-50(41)60-51/h1-46H;1-42H;1-38H;1-36H
• InChIKey: JTFZXBUFASJLHO-UHFFFAOYSA-N
• XLogP: 70.77
• TPSA: 65.34 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 27
• Heavy Atoms: 270
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3514.42
LogP ≤ 5	70.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N-dibenzofuran-2-yl-4-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine;2-N,4-N'-di(dibenzofuran-2-yl)-2-N,4-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,4'-diamine;2-N-(9,9-diphenylfluoren-2-yl)-2-N,3-N',3-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,3'-diamine;2-N'-phenanthren-9-yl-2-N',4-N-diphenyl-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',4-diamine?

The IUPAC name of 4-N-dibenzofuran-2-yl-4-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine;2-N,4-N'-di(dibenzofuran-2-yl)-2-N,4-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,4'-diamine;2-N-(9,9-diphenylfluoren-2-yl)-2-N,3-N',3-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,3'-diamine;2-N'-phenanthren-9-yl-2-N',4-N-diphenyl-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',4-diamine (CID 159017223) is 4-N-dibenzofuran-2-yl-4-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine;2-N,4-N'-di(dibenzofuran-2-yl)-2-N,4-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,4'-diamine;2-N-(9,9-diphenylfluoren-2-yl)-2-N,3-N',3-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,3'-diamine;2-N'-phenanthren-9-yl-2-N',4-N-diphenyl-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',4-diamine.

What is the SMILES notation for 4-N-dibenzofuran-2-yl-4-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine;2-N,4-N'-di(dibenzofuran-2-yl)-2-N,4-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,4'-diamine;2-N-(9,9-diphenylfluoren-2-yl)-2-N,3-N',3-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,3'-diamine;2-N'-phenanthren-9-yl-2-N',4-N-diphenyl-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',4-diamine?

The canonical SMILES for 4-N-dibenzofuran-2-yl-4-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine;2-N,4-N'-di(dibenzofuran-2-yl)-2-N,4-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,4'-diamine;2-N-(9,9-diphenylfluoren-2-yl)-2-N,3-N',3-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,3'-diamine;2-N'-phenanthren-9-yl-2-N',4-N-diphenyl-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',4-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4cc(N(c5ccccc5)c5cc6ccccc6c6ccccc56)ccc4-c4sc5ccccc5c43)cc2)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3cccc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)c3-c3sc4ccccc4c32)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cccc3c2-c2ccccc2C32c3cccc(N(c4ccccc4)c4ccccc4)c3-c3sc4ccccc4c32)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)-c2sc4ccccc4c2C32c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc32)cc1.

What is the InChIKey of 4-N-dibenzofuran-2-yl-4-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine;2-N,4-N'-di(dibenzofuran-2-yl)-2-N,4-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,4'-diamine;2-N-(9,9-diphenylfluoren-2-yl)-2-N,3-N',3-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,3'-diamine;2-N'-phenanthren-9-yl-2-N',4-N-diphenyl-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',4-diamine?

The InChIKey is JTFZXBUFASJLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N2S.C65H42N2S.C63H38N2O2S.C57H36N2OS/c1-6-22-47(23-7-1)69(48-24-8-2-9-25-48)61-35-19-16-32-55(61)57-41-38-53(45-64(57)69)72(51-30-14-5-15-31-51)54-39-42-58-56-33-17-20-36-62(56)70(65(58)46-54)63-43-40-52(44-60(63)68-67(70)59-34-18-21-37-66(59)73-68)71(49-26-10-3-11-27-49)50-28-12-4-13-29-50;1-4-19-43(20-5-1)44-35-37-48(38-36-44)66(46-22-6-2-7-23-46)59-33-18-32-57-62(59)53-29-14-16-31-56(53)65(57)58-42-49(39-40-54(58)64-63(65)55-30-15-17-34-61(55)68-64)67(47-24-8-3-9-25-47)60-41-45-21-10-11-26-50(45)51-27-12-13-28-52(51)60;1-3-16-39(17-4-1)64(41-31-34-57-49(36-41)46-21-8-12-27-55(46)66-57)43-30-33-45-44-20-7-11-24-51(44)63(53(45)38-43)52-25-15-26-54(60(52)62-61(63)48-23-10-14-29-59(48)68-62)65(40-18-5-2-6-19-40)42-32-35-58-50(37-42)47-22-9-13-28-56(47)67-58;1-4-18-37(19-5-1)58(38-20-6-2-7-21-38)49-31-17-29-47-54(49)56-55(43-26-12-15-33-52(43)61-56)57(47)45-27-13-10-25-42(45)53-46(57)28-16-30-48(53)59(39-22-8-3-9-23-39)40-34-35-51-44(36-40)41-24-11-14-32-50(41)60-51/h1-46H;1-42H;1-38H;1-36H.

What are the key properties of 4-N-dibenzofuran-2-yl-4-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine;2-N,4-N'-di(dibenzofuran-2-yl)-2-N,4-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,4'-diamine;2-N-(9,9-diphenylfluoren-2-yl)-2-N,3-N',3-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,3'-diamine;2-N'-phenanthren-9-yl-2-N',4-N-diphenyl-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',4-diamine?

4-N-dibenzofuran-2-yl-4-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine;2-N,4-N'-di(dibenzofuran-2-yl)-2-N,4-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,4'-diamine;2-N-(9,9-diphenylfluoren-2-yl)-2-N,3-N',3-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,3'-diamine;2-N'-phenanthren-9-yl-2-N',4-N-diphenyl-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',4-diamine has a molecular weight of 3514.42 g/mol, XLogP of 70.77, 27 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-dibenzofuran-2-yl-4-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4,4'-diamine;2-N,4-N'-di(dibenzofuran-2-yl)-2-N,4-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,4'-diamine;2-N-(9,9-diphenylfluoren-2-yl)-2-N,3-N',3-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2,3'-diamine;2-N'-phenanthren-9-yl-2-N',4-N-diphenyl-4-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2',4-diamine is sourced from PubChem (CID 159017223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).