2-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;4-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;2-(4-phenylphenyl)-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline

C228H145N3O6 — CID 161349725

IUPAC2-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;4-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;2-(4-phenylphenyl)-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)cc3)c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)cc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)cc3)cc2)cc1.c1ccc(-c2ccccc2N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc2)c2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C80H51NO2.2C74H47NO2/c1-2-20-52(21-3-1)53-40-42-54(43-41-53)59-22-6-13-35-72(59)81(57-48-44-55(45-49-57)60-25-18-33-70-77(60)62-23-4-7-27-64(62)79(70)66-29-9-14-36-73(66)82-74-37-15-10-30-67(74)79)58-50-46-56(47-51-58)61-26-19-34-71-78(61)63-24-5-8-28-65(63)80(71)68-31-11-16-38-75(68)83-76-39-17-12-32-69(76)80;1-2-18-50(19-3-1)55-20-6-13-29-68(55)75(53-40-34-48(35-41-53)51-38-44-58-56-21-4-7-23-60(56)73(66(58)46-51)62-25-9-14-30-69(62)76-70-31-15-10-26-63(70)73)54-42-36-49(37-43-54)52-39-45-59-57-22-5-8-24-61(57)74(67(59)47-52)64-27-11-16-32-71(64)77-72-33-17-12-28-65(72)74;1-2-16-48(17-3-1)49-30-38-54(39-31-49)75(55-40-32-50(33-41-55)52-36-44-59-57-18-4-6-20-61(57)73(67(59)46-52)63-22-8-12-26-69(63)76-70-27-13-9-23-64(70)73)56-42-34-51(35-43-56)53-37-45-60-58-19-5-7-21-62(58)74(68(60)47-53)65-24-10-14-28-71(65)77-72-29-15-11-25-66(72)74/h1-51H;2*1-47H
InChIKeyVNTSPGBMCDRUCQ-UHFFFAOYSA-N
MW3022.68 g/mol
LogP58.95
Rot. Bonds19

About 2-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;4-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;2-(4-phenylphenyl)-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline

2-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;4-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;2-(4-phenylphenyl)-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline (PubChem CID 161349725) has the molecular formula C228H145N3O6 and a molecular weight of 3022.68 g/mol. Its IUPAC name is 2-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;4-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;2-(4-phenylphenyl)-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline.

Molecular Properties

Compound Name2-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;4-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;2-(4-phenylphenyl)-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
PubChem CID161349725
Molecular FormulaC228H145N3O6
Molecular Weight3022.68 g/mol
Exact Mass3020.11
IUPAC Name2-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;4-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;2-(4-phenylphenyl)-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)cc3)c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)cc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)cc3)cc2)cc1.c1ccc(-c2ccccc2N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc2)c2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C80H51NO2.2C74H47NO2/c1-2-20-52(21-3-1)53-40-42-54(43-41-53)59-22-6-13-35-72(59)81(57-48-44-55(45-49-57)60-25-18-33-70-77(60)62-23-4-7-27-64(62)79(70)66-29-9-14-36-73(66)82-74-37-15-10-30-67(74)79)58-50-46-56(47-51-58)61-26-19-34-71-78(61)63-24-5-8-28-65(63)80(71)68-31-11-16-38-75(68)83-76-39-17-12-32-69(76)80;1-2-18-50(19-3-1)55-20-6-13-29-68(55)75(53-40-34-48(35-41-53)51-38-44-58-56-21-4-7-23-60(56)73(66(58)46-51)62-25-9-14-30-69(62)76-70-31-15-10-26-63(70)73)54-42-36-49(37-43-54)52-39-45-59-57-22-5-8-24-61(57)74(67(59)47-52)64-27-11-16-32-71(64)77-72-33-17-12-28-65(72)74;1-2-16-48(17-3-1)49-30-38-54(39-31-49)75(55-40-32-50(33-41-55)52-36-44-59-57-18-4-6-20-61(57)73(67(59)46-52)63-22-8-12-26-69(63)76-70-27-13-9-23-64(70)73)56-42-34-51(35-43-56)53-37-45-60-58-19-5-7-21-62(58)74(68(60)47-53)65-24-10-14-28-71(65)77-72-29-15-11-25-66(72)74/h1-51H;2*1-47H
InChIKeyVNTSPGBMCDRUCQ-UHFFFAOYSA-N
XLogP58.95
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms237
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003022.68
LogP ≤ 558.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;4-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;2-(4-phenylphenyl)-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline with MolForge

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Related Compounds

N,2-diphenyl-N-[4-[4'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]aniline
CID 140915383
N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-2-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138477772
N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 160562558
N-(3-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-yl-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138477025
N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-yl-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline
CID 138476242
N-[4-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(4-phenylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 158045243
N-[2-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477499
2-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline
CID 90154256
2-phenyl-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138477572
N-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
CID 167177160
N-[2-(4-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477446
2'-[4-(N-phenylanilino)phenyl]-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 140915456

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;4-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;2-(4-phenylphenyl)-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline?
The IUPAC name of 2-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;4-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;2-(4-phenylphenyl)-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline (CID 161349725) is 2-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;4-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;2-(4-phenylphenyl)-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline.
What is the SMILES notation for 2-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;4-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;2-(4-phenylphenyl)-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline?
The canonical SMILES for 2-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;4-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;2-(4-phenylphenyl)-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline is c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)cc3)c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)cc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)cc3)cc2)cc1.c1ccc(-c2ccccc2N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc2)c2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc2)cc1.
What is the InChIKey of 2-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;4-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;2-(4-phenylphenyl)-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline?
The InChIKey is VNTSPGBMCDRUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H51NO2.2C74H47NO2/c1-2-20-52(21-3-1)53-40-42-54(43-41-53)59-22-6-13-35-72(59)81(57-48-44-55(45-49-57)60-25-18-33-70-77(60)62-23-4-7-27-64(62)79(70)66-29-9-14-36-73(66)82-74-37-15-10-30-67(74)79)58-50-46-56(47-51-58)61-26-19-34-71-78(61)63-24-5-8-28-65(63)80(71)68-31-11-16-38-75(68)83-76-39-17-12-32-69(76)80;1-2-18-50(19-3-1)55-20-6-13-29-68(55)75(53-40-34-48(35-41-53)51-38-44-58-56-21-4-7-23-60(56)73(66(58)46-51)62-25-9-14-30-69(62)76-70-31-15-10-26-63(70)73)54-42-36-49(37-43-54)52-39-45-59-57-22-5-8-24-61(57)74(67(59)47-52)64-27-11-16-32-71(64)77-72-33-17-12-28-65(72)74;1-2-16-48(17-3-1)49-30-38-54(39-31-49)75(55-40-32-50(33-41-55)52-36-44-59-57-18-4-6-20-61(57)73(67(59)46-52)63-22-8-12-26-69(63)76-70-27-13-9-23-64(70)73)56-42-34-51(35-43-56)53-37-45-60-58-19-5-7-21-62(58)74(68(60)47-53)65-24-10-14-28-71(65)77-72-29-15-11-25-66(72)74/h1-51H;2*1-47H.
What are the key properties of 2-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;4-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;2-(4-phenylphenyl)-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline?
2-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;4-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;2-(4-phenylphenyl)-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline has a molecular weight of 3022.68 g/mol, XLogP of 58.95, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;4-phenyl-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;2-(4-phenylphenyl)-N,N-bis(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline is sourced from PubChem (CID 161349725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).