N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine

C243H153N3S6 — CID 158194308

IUPACN-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccc(N(c5ccc6c(c5)-c5ccccc5C65c6ccccc6Sc6ccccc65)c5ccc6c(c5)C5(c7ccccc7Sc7ccccc75)c5ccccc5-6)cc4)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(N(c5ccc6c(c5)-c5ccccc5C65c6ccccc6Sc6ccccc65)c5ccc6c(c5)C5(c7ccccc7Sc7ccccc75)c5ccccc5-6)cc4)cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cccc(N(c5ccc6c(c5)-c5ccccc5C65c6ccccc6Sc6ccccc65)c5ccc6c(c5)C5(c7ccccc7Sc7ccccc75)c5ccccc5-6)c4)cc32)cc1
InChIInChI=1S/3C81H51NS2/c1-3-23-54(24-4-1)79(55-25-5-2-6-26-55)65-31-10-7-28-59(65)62-45-42-53(49-73(62)79)52-22-21-27-56(48-52)82(57-44-47-68-64(50-57)61-30-9-12-33-67(61)80(68)69-34-13-17-38-75(69)83-76-39-18-14-35-70(76)80)58-43-46-63-60-29-8-11-32-66(60)81(74(63)51-58)71-36-15-19-40-77(71)84-78-41-20-16-37-72(78)81;1-3-22-53(23-4-1)79(54-24-5-2-6-25-54)66-32-12-9-28-62(66)78-58(29-21-37-72(78)79)52-42-44-55(45-43-52)82(56-47-49-67-63(50-56)60-27-8-11-31-65(60)80(67)68-33-13-17-38-74(68)83-75-39-18-14-34-69(75)80)57-46-48-61-59-26-7-10-30-64(59)81(73(61)51-57)70-35-15-19-40-76(70)84-77-41-20-16-36-71(77)81;1-3-21-54(22-4-1)79(55-23-5-2-6-24-55)65-28-10-7-25-59(65)62-46-41-53(49-73(62)79)52-39-42-56(43-40-52)82(57-45-48-68-64(50-57)61-27-9-12-30-67(61)80(68)69-31-13-17-35-75(69)83-76-36-18-14-32-70(76)80)58-44-47-63-60-26-8-11-29-66(60)81(74(63)51-58)71-33-15-19-37-77(71)84-78-38-20-16-34-72(78)81/h3*1-51H
InChIKeyGADPAXMYXCMUDL-UHFFFAOYSA-N
MW3307.32 g/mol
LogP62.53
Rot. Bonds18

About N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine

N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine (PubChem CID 158194308) has the molecular formula C243H153N3S6 and a molecular weight of 3307.32 g/mol. Its IUPAC name is N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine.

Molecular Properties

Compound NameN-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
PubChem CID158194308
Molecular FormulaC243H153N3S6
Molecular Weight3307.32 g/mol
Exact Mass3304.04
IUPAC NameN-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccc(N(c5ccc6c(c5)-c5ccccc5C65c6ccccc6Sc6ccccc65)c5ccc6c(c5)C5(c7ccccc7Sc7ccccc75)c5ccccc5-6)cc4)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(N(c5ccc6c(c5)-c5ccccc5C65c6ccccc6Sc6ccccc65)c5ccc6c(c5)C5(c7ccccc7Sc7ccccc75)c5ccccc5-6)cc4)cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cccc(N(c5ccc6c(c5)-c5ccccc5C65c6ccccc6Sc6ccccc65)c5ccc6c(c5)C5(c7ccccc7Sc7ccccc75)c5ccccc5-6)c4)cc32)cc1
InChIInChI=1S/3C81H51NS2/c1-3-23-54(24-4-1)79(55-25-5-2-6-26-55)65-31-10-7-28-59(65)62-45-42-53(49-73(62)79)52-22-21-27-56(48-52)82(57-44-47-68-64(50-57)61-30-9-12-33-67(61)80(68)69-34-13-17-38-75(69)83-76-39-18-14-35-70(76)80)58-43-46-63-60-29-8-11-32-66(60)81(74(63)51-58)71-36-15-19-40-77(71)84-78-41-20-16-37-72(78)81;1-3-22-53(23-4-1)79(54-24-5-2-6-25-54)66-32-12-9-28-62(66)78-58(29-21-37-72(78)79)52-42-44-55(45-43-52)82(56-47-49-67-63(50-56)60-27-8-11-31-65(60)80(67)68-33-13-17-38-74(68)83-75-39-18-14-34-69(75)80)57-46-48-61-59-26-7-10-30-64(59)81(73(61)51-57)70-35-15-19-40-76(70)84-77-41-20-16-36-71(77)81;1-3-21-54(22-4-1)79(55-23-5-2-6-24-55)65-28-10-7-25-59(65)62-46-41-53(49-73(62)79)52-39-42-56(43-40-52)82(57-45-48-68-64(50-57)61-27-9-12-30-67(61)80(68)69-31-13-17-35-75(69)83-76-36-18-14-32-70(76)80)58-44-47-63-60-26-8-11-29-66(60)81(74(63)51-58)71-33-15-19-37-77(71)84-78-38-20-16-34-72(78)81/h3*1-51H
InChIKeyGADPAXMYXCMUDL-UHFFFAOYSA-N
XLogP62.53
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms252
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003307.32
LogP ≤ 562.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine with MolForge

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Related Compounds

N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-3'-[4-[3-(9,9-diphenylfluoren-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylanilino]spiro[fluorene-9,9'-thioxanthene]-3'-yl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
CID 138476640
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138477229
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine;N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine;N-(9,9-diphenylfluoren-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine
CID 161377030
N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
CID 138476010
N,7'-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-amine
CID 166679420
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 161038033
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 121423591
N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476091
N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine;N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine;N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine
CID 162115630
N,4-diphenyl-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-3-yl)phenyl]aniline
CID 129259026
N-(9,9-diphenylfluoren-3-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 159940117
N-(3-phenylphenyl)-4'-[7-(4-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylanilino)spiro[fluorene-9,9'-thioxanthene]-3-yl]-N-[7-[3-[4-[4-[spiro[fluorene-9,9'-thioxanthene]-2-yl(spiro[fluorene-9,9'-thioxanthene]-4-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine
CID 138475972

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?
The IUPAC name of N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine (CID 158194308) is N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine.
What is the SMILES notation for N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?
The canonical SMILES for N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccc(N(c5ccc6c(c5)-c5ccccc5C65c6ccccc6Sc6ccccc65)c5ccc6c(c5)C5(c7ccccc7Sc7ccccc75)c5ccccc5-6)cc4)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(N(c5ccc6c(c5)-c5ccccc5C65c6ccccc6Sc6ccccc65)c5ccc6c(c5)C5(c7ccccc7Sc7ccccc75)c5ccccc5-6)cc4)cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cccc(N(c5ccc6c(c5)-c5ccccc5C65c6ccccc6Sc6ccccc65)c5ccc6c(c5)C5(c7ccccc7Sc7ccccc75)c5ccccc5-6)c4)cc32)cc1.
What is the InChIKey of N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?
The InChIKey is GADPAXMYXCMUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C81H51NS2/c1-3-23-54(24-4-1)79(55-25-5-2-6-26-55)65-31-10-7-28-59(65)62-45-42-53(49-73(62)79)52-22-21-27-56(48-52)82(57-44-47-68-64(50-57)61-30-9-12-33-67(61)80(68)69-34-13-17-38-75(69)83-76-39-18-14-35-70(76)80)58-43-46-63-60-29-8-11-32-66(60)81(74(63)51-58)71-36-15-19-40-77(71)84-78-41-20-16-37-72(78)81;1-3-22-53(23-4-1)79(54-24-5-2-6-25-54)66-32-12-9-28-62(66)78-58(29-21-37-72(78)79)52-42-44-55(45-43-52)82(56-47-49-67-63(50-56)60-27-8-11-31-65(60)80(67)68-33-13-17-38-74(68)83-75-39-18-14-34-69(75)80)57-46-48-61-59-26-7-10-30-64(59)81(73(61)51-57)70-35-15-19-40-76(70)84-77-41-20-16-36-71(77)81;1-3-21-54(22-4-1)79(55-23-5-2-6-24-55)65-28-10-7-25-59(65)62-46-41-53(49-73(62)79)52-39-42-56(43-40-52)82(57-45-48-68-64(50-57)61-27-9-12-30-67(61)80(68)69-31-13-17-35-75(69)83-76-36-18-14-32-70(76)80)58-44-47-63-60-26-8-11-29-66(60)81(74(63)51-58)71-33-15-19-37-77(71)84-78-38-20-16-34-72(78)81/h3*1-51H.
What are the key properties of N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine has a molecular weight of 3307.32 g/mol, XLogP of 62.53, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine is sourced from PubChem (CID 158194308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).