N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-3-amine;N-phenanthren-9-yl-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine;N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-amine;N-phenyl-N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yldibenzofuran-3-amine

C317H198N6OS6 — CID 159179975

About N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-3-amine;N-phenanthren-9-yl-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine;N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-amine;N-phenyl-N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yldibenzofuran-3-amine

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-3-amine;N-phenanthren-9-yl-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine;N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-amine;N-phenyl-N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yldibenzofuran-3-amine (PubChem CID 159179975) has the molecular formula C317H198N6OS6 and a molecular weight of 4299.51 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-3-amine;N-phenanthren-9-yl-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine;N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-amine;N-phenyl-N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yldibenzofuran-3-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-3-amine;N-phenanthren-9-yl-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine;N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-amine;N-phenyl-N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yldibenzofuran-3-amine
• PubChem CID: 159179975
• Molecular Formula: C317H198N6OS6
• Molecular Weight: 4299.51 g/mol
• Exact Mass: 4295.40
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-3-amine;N-phenanthren-9-yl-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine;N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-amine;N-phenyl-N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yldibenzofuran-3-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4c3sc3ccccc43)cc21.c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4c3sc3ccccc43)c3ccc4ccccc4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3sc5ccccc5c3-4)cc2)cc1.c1ccc(N(c2ccc3c(c2)-c2c(sc4ccccc24)C32c3ccccc3-c3ccccc32)c2ccc3c(c2)oc2ccccc23)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c2sc2ccccc32)cc1.c1ccc(N(c2cccc3c2-c2c(sc4ccccc24)C32c3ccccc3-c3ccccc32)c2cc3ccccc3c3ccccc23)cc1
• InChI: InChI=1S/C64H39NS.C58H35NS.C54H37NS.C49H31NS.C47H29NS.C45H27NOS/c1-2-16-40(17-3-1)41-30-32-42(33-31-41)65(43-34-36-50-49-22-6-12-26-55(49)63(58(50)38-43)53-24-10-4-18-45(53)46-19-5-11-25-54(46)63)44-35-37-51-59(39-44)64(62-61(51)52-23-9-15-29-60(52)66-62)56-27-13-7-20-47(56)48-21-8-14-28-57(48)64;1-2-16-36(17-3-1)59(37-30-32-43-41-20-6-12-26-49(41)57(52(43)34-37)47-24-10-4-18-39(47)40-19-5-11-25-48(40)57)38-31-33-44-42-21-7-13-27-50(42)58(53(44)35-38)51-28-14-8-22-45(51)55-46-23-9-15-29-54(46)60-56(55)58;1-53(2)43-21-10-6-17-38(43)39-32-31-37(33-47(39)53)55(36-29-27-35(28-30-36)34-15-4-3-5-16-34)48-25-14-24-46-51(48)41-19-8-12-23-45(41)54(46)44-22-11-7-18-40(44)50-42-20-9-13-26-49(42)56-52(50)54;1-2-12-32(13-3-1)34-22-25-36(26-23-34)50(37-27-24-33-14-4-5-15-35(33)30-37)38-28-29-45-42(31-38)39-16-6-9-19-43(39)49(45)44-20-10-7-17-40(44)47-41-18-8-11-21-46(41)51-48(47)49;1-2-16-31(17-3-1)48(42-29-30-15-4-5-18-32(30)33-19-6-7-22-36(33)42)41-27-14-26-40-45(41)44-37-23-10-13-28-43(37)49-46(44)47(40)38-24-11-8-20-34(38)35-21-9-12-25-39(35)47;1-2-12-28(13-3-1)46(30-22-24-34-33-16-6-10-20-40(33)47-41(34)27-30)29-23-25-39-36(26-29)43-35-17-7-11-21-42(35)48-44(43)45(39)37-18-8-4-14-31(37)32-15-5-9-19-38(32)45/h1-39H;1-35H;3-33H,1-2H3;1-31H;1-29H;1-27H
• InChIKey: KMTLMAJDDZCFPI-UHFFFAOYSA-N
• XLogP: 85.64
• TPSA: 32.58 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 21
• Heavy Atoms: 330
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4299.51
LogP ≤ 5	85.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-3-amine;N-phenanthren-9-yl-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine;N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-amine;N-phenyl-N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yldibenzofuran-3-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-3-amine;N-phenanthren-9-yl-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine;N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-amine;N-phenyl-N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yldibenzofuran-3-amine (CID 159179975) is N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-3-amine;N-phenanthren-9-yl-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine;N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-amine;N-phenyl-N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yldibenzofuran-3-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-3-amine;N-phenanthren-9-yl-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine;N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-amine;N-phenyl-N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yldibenzofuran-3-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-3-amine;N-phenanthren-9-yl-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine;N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-amine;N-phenyl-N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yldibenzofuran-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4c3sc3ccccc43)cc21.c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4c3sc3ccccc43)c3ccc4ccccc4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3sc5ccccc5c3-4)cc2)cc1.c1ccc(N(c2ccc3c(c2)-c2c(sc4ccccc24)C32c3ccccc3-c3ccccc32)c2ccc3c(c2)oc2ccccc23)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c2sc2ccccc32)cc1.c1ccc(N(c2cccc3c2-c2c(sc4ccccc24)C32c3ccccc3-c3ccccc32)c2cc3ccccc3c3ccccc23)cc1.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-3-amine;N-phenanthren-9-yl-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine;N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-amine;N-phenyl-N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yldibenzofuran-3-amine?

The InChIKey is KMTLMAJDDZCFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H39NS.C58H35NS.C54H37NS.C49H31NS.C47H29NS.C45H27NOS/c1-2-16-40(17-3-1)41-30-32-42(33-31-41)65(43-34-36-50-49-22-6-12-26-55(49)63(58(50)38-43)53-24-10-4-18-45(53)46-19-5-11-25-54(46)63)44-35-37-51-59(39-44)64(62-61(51)52-23-9-15-29-60(52)66-62)56-27-13-7-20-47(56)48-21-8-14-28-57(48)64;1-2-16-36(17-3-1)59(37-30-32-43-41-20-6-12-26-49(41)57(52(43)34-37)47-24-10-4-18-39(47)40-19-5-11-25-48(40)57)38-31-33-44-42-21-7-13-27-50(42)58(53(44)35-38)51-28-14-8-22-45(51)55-46-23-9-15-29-54(46)60-56(55)58;1-53(2)43-21-10-6-17-38(43)39-32-31-37(33-47(39)53)55(36-29-27-35(28-30-36)34-15-4-3-5-16-34)48-25-14-24-46-51(48)41-19-8-12-23-45(41)54(46)44-22-11-7-18-40(44)50-42-20-9-13-26-49(42)56-52(50)54;1-2-12-32(13-3-1)34-22-25-36(26-23-34)50(37-27-24-33-14-4-5-15-35(33)30-37)38-28-29-45-42(31-38)39-16-6-9-19-43(39)49(45)44-20-10-7-17-40(44)47-41-18-8-11-21-46(41)51-48(47)49;1-2-16-31(17-3-1)48(42-29-30-15-4-5-18-32(30)33-19-6-7-22-36(33)42)41-27-14-26-40-45(41)44-37-23-10-13-28-43(37)49-46(44)47(40)38-24-11-8-20-34(38)35-21-9-12-25-39(35)47;1-2-12-28(13-3-1)46(30-22-24-34-33-16-6-10-20-40(33)47-41(34)27-30)29-23-25-39-36(26-29)43-35-17-7-11-21-42(35)48-44(43)45(39)37-18-8-4-14-31(37)32-15-5-9-19-38(32)45/h1-39H;1-35H;3-33H,1-2H3;1-31H;1-29H;1-27H.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-3-amine;N-phenanthren-9-yl-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine;N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-amine;N-phenyl-N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yldibenzofuran-3-amine?

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-3-amine;N-phenanthren-9-yl-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine;N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-amine;N-phenyl-N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yldibenzofuran-3-amine has a molecular weight of 4299.51 g/mol, XLogP of 85.64, 21 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-3-amine;N-phenanthren-9-yl-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-amine;N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-amine;N-phenyl-N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yldibenzofuran-3-amine is sourced from PubChem (CID 159179975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).