4-N-dibenzofuran-2-yl-4-N,10-N',10-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,10'-diamine;4-N,10-N'-di(phenanthren-9-yl)-4-N,10-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,10'-diamine;2-N-(9,9-diphenylfluoren-2-yl)-2-N,9-N',9-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,9'-diamine;8-N'-phenanthren-9-yl-4-N,8-N'-diphenyl-4-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,8'-diamine

C259H166N8OS4 — CID 160950296

About 4-N-dibenzofuran-2-yl-4-N,10-N',10-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,10'-diamine;4-N,10-N'-di(phenanthren-9-yl)-4-N,10-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,10'-diamine;2-N-(9,9-diphenylfluoren-2-yl)-2-N,9-N',9-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,9'-diamine;8-N'-phenanthren-9-yl-4-N,8-N'-diphenyl-4-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,8'-diamine

4-N-dibenzofuran-2-yl-4-N,10-N',10-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,10'-diamine;4-N,10-N'-di(phenanthren-9-yl)-4-N,10-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,10'-diamine;2-N-(9,9-diphenylfluoren-2-yl)-2-N,9-N',9-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,9'-diamine;8-N'-phenanthren-9-yl-4-N,8-N'-diphenyl-4-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,8'-diamine (PubChem CID 160950296) has the molecular formula C259H166N8OS4 and a molecular weight of 3534.50 g/mol. Its IUPAC name is 4-N-dibenzofuran-2-yl-4-N,10-N',10-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,10'-diamine;4-N,10-N'-di(phenanthren-9-yl)-4-N,10-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,10'-diamine;2-N-(9,9-diphenylfluoren-2-yl)-2-N,9-N',9-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,9'-diamine;8-N'-phenanthren-9-yl-4-N,8-N'-diphenyl-4-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,8'-diamine.

Molecular Properties

• Compound Name: 4-N-dibenzofuran-2-yl-4-N,10-N',10-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,10'-diamine;4-N,10-N'-di(phenanthren-9-yl)-4-N,10-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,10'-diamine;2-N-(9,9-diphenylfluoren-2-yl)-2-N,9-N',9-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,9'-diamine;8-N'-phenanthren-9-yl-4-N,8-N'-diphenyl-4-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,8'-diamine
• PubChem CID: 160950296
• Molecular Formula: C259H166N8OS4
• Molecular Weight: 3534.50 g/mol
• Exact Mass: 3531.21
• IUPAC Name: 4-N-dibenzofuran-2-yl-4-N,10-N',10-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,10'-diamine;4-N,10-N'-di(phenanthren-9-yl)-4-N,10-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,10'-diamine;2-N-(9,9-diphenylfluoren-2-yl)-2-N,9-N',9-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,9'-diamine;8-N'-phenanthren-9-yl-4-N,8-N'-diphenyl-4-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,8'-diamine
• SMILES: c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4cc(N(c5ccccc5)c5cc6ccccc6c6ccccc56)ccc4-c4c3sc3ccccc43)cc2)cc1.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cccc3c2-c2ccccc2C32c3cccc(N(c4ccccc4)c4ccccc4)c3-c3c2sc2ccccc32)cc1.c1ccc(N(c2cccc3c2-c2ccccc2C32c3cccc(N(c4ccccc4)c4cc5ccccc5c5ccccc45)c3-c3c2sc2ccccc32)c2cc3ccccc3c3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)-c2c(sc4ccccc24)C32c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc32)cc1
• InChI: InChI=1S/C70H46N2S.C67H42N2S.C65H42N2S.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)67-59-34-18-21-37-66(59)73-68(67)70)71(49-26-10-3-11-27-49)50-28-12-4-13-29-50;1-3-23-45(24-4-1)68(60-41-43-21-7-9-27-47(43)49-29-11-13-31-51(49)60)58-38-19-36-56-63(58)53-33-15-17-35-55(53)67(56)57-37-20-39-59(65(57)64-54-34-16-18-40-62(54)70-66(64)67)69(46-25-5-2-6-26-46)61-42-44-22-8-10-28-48(44)50-30-12-14-32-52(50)61;1-4-19-43(20-5-1)44-35-37-48(38-36-44)66(46-22-6-2-7-23-46)59-33-18-32-57-63(59)53-29-14-16-31-56(53)65(57)58-42-49(39-40-54(58)62-55-30-15-17-34-61(55)68-64(62)65)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;1-4-18-37(19-5-1)58(38-20-6-2-7-21-38)49-31-17-29-47-55(49)54-43-26-12-15-33-52(43)61-56(54)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;1-42H;1-36H
• InChIKey: SVQZKTVKIZZEHX-UHFFFAOYSA-N
• XLogP: 71.59
• TPSA: 39.06 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 27
• Heavy Atoms: 272
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3534.50
LogP ≤ 5	71.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

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,10-N',10-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,10'-diamine;4-N,10-N'-di(phenanthren-9-yl)-4-N,10-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,10'-diamine;2-N-(9,9-diphenylfluoren-2-yl)-2-N,9-N',9-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,9'-diamine;8-N'-phenanthren-9-yl-4-N,8-N'-diphenyl-4-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,8'-diamine?

The IUPAC name of 4-N-dibenzofuran-2-yl-4-N,10-N',10-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,10'-diamine;4-N,10-N'-di(phenanthren-9-yl)-4-N,10-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,10'-diamine;2-N-(9,9-diphenylfluoren-2-yl)-2-N,9-N',9-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,9'-diamine;8-N'-phenanthren-9-yl-4-N,8-N'-diphenyl-4-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,8'-diamine (CID 160950296) is 4-N-dibenzofuran-2-yl-4-N,10-N',10-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,10'-diamine;4-N,10-N'-di(phenanthren-9-yl)-4-N,10-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,10'-diamine;2-N-(9,9-diphenylfluoren-2-yl)-2-N,9-N',9-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,9'-diamine;8-N'-phenanthren-9-yl-4-N,8-N'-diphenyl-4-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,8'-diamine.

What is the SMILES notation for 4-N-dibenzofuran-2-yl-4-N,10-N',10-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,10'-diamine;4-N,10-N'-di(phenanthren-9-yl)-4-N,10-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,10'-diamine;2-N-(9,9-diphenylfluoren-2-yl)-2-N,9-N',9-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,9'-diamine;8-N'-phenanthren-9-yl-4-N,8-N'-diphenyl-4-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,8'-diamine?

The canonical SMILES for 4-N-dibenzofuran-2-yl-4-N,10-N',10-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,10'-diamine;4-N,10-N'-di(phenanthren-9-yl)-4-N,10-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,10'-diamine;2-N-(9,9-diphenylfluoren-2-yl)-2-N,9-N',9-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,9'-diamine;8-N'-phenanthren-9-yl-4-N,8-N'-diphenyl-4-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,8'-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4cc(N(c5ccccc5)c5cc6ccccc6c6ccccc56)ccc4-c4c3sc3ccccc43)cc2)cc1.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cccc3c2-c2ccccc2C32c3cccc(N(c4ccccc4)c4ccccc4)c3-c3c2sc2ccccc32)cc1.c1ccc(N(c2cccc3c2-c2ccccc2C32c3cccc(N(c4ccccc4)c4cc5ccccc5c5ccccc45)c3-c3c2sc2ccccc32)c2cc3ccccc3c3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)-c2c(sc4ccccc24)C32c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc32)cc1.

What is the InChIKey of 4-N-dibenzofuran-2-yl-4-N,10-N',10-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,10'-diamine;4-N,10-N'-di(phenanthren-9-yl)-4-N,10-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,10'-diamine;2-N-(9,9-diphenylfluoren-2-yl)-2-N,9-N',9-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,9'-diamine;8-N'-phenanthren-9-yl-4-N,8-N'-diphenyl-4-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,8'-diamine?

The InChIKey is SVQZKTVKIZZEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N2S.C67H42N2S.C65H42N2S.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)67-59-34-18-21-37-66(59)73-68(67)70)71(49-26-10-3-11-27-49)50-28-12-4-13-29-50;1-3-23-45(24-4-1)68(60-41-43-21-7-9-27-47(43)49-29-11-13-31-51(49)60)58-38-19-36-56-63(58)53-33-15-17-35-55(53)67(56)57-37-20-39-59(65(57)64-54-34-16-18-40-62(54)70-66(64)67)69(46-25-5-2-6-26-46)61-42-44-22-8-10-28-48(44)50-30-12-14-32-52(50)61;1-4-19-43(20-5-1)44-35-37-48(38-36-44)66(46-22-6-2-7-23-46)59-33-18-32-57-63(59)53-29-14-16-31-56(53)65(57)58-42-49(39-40-54(58)62-55-30-15-17-34-61(55)68-64(62)65)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;1-4-18-37(19-5-1)58(38-20-6-2-7-21-38)49-31-17-29-47-55(49)54-43-26-12-15-33-52(43)61-56(54)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;1-42H;1-36H.

What are the key properties of 4-N-dibenzofuran-2-yl-4-N,10-N',10-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,10'-diamine;4-N,10-N'-di(phenanthren-9-yl)-4-N,10-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,10'-diamine;2-N-(9,9-diphenylfluoren-2-yl)-2-N,9-N',9-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,9'-diamine;8-N'-phenanthren-9-yl-4-N,8-N'-diphenyl-4-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,8'-diamine?

4-N-dibenzofuran-2-yl-4-N,10-N',10-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,10'-diamine;4-N,10-N'-di(phenanthren-9-yl)-4-N,10-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,10'-diamine;2-N-(9,9-diphenylfluoren-2-yl)-2-N,9-N',9-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,9'-diamine;8-N'-phenanthren-9-yl-4-N,8-N'-diphenyl-4-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,8'-diamine has a molecular weight of 3534.50 g/mol, XLogP of 71.59, 27 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-dibenzofuran-2-yl-4-N,10-N',10-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,10'-diamine;4-N,10-N'-di(phenanthren-9-yl)-4-N,10-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,10'-diamine;2-N-(9,9-diphenylfluoren-2-yl)-2-N,9-N',9-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,9'-diamine;8-N'-phenanthren-9-yl-4-N,8-N'-diphenyl-4-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,8'-diamine is sourced from PubChem (CID 160950296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).