4-(spiro[4a,9a-dihydrofluorene-9,10'-anthracene]-9'-ylidenemethyl)-N,N-bis[4-(spiro[anthracene-10,9'-fluorene]-9-ylidenemethyl)phenyl]aniline

C99H65N — CID 89177572

IUPAC4-(spiro[4a,9a-dihydrofluorene-9,10'-anthracene]-9'-ylidenemethyl)-N,N-bis[4-(spiro[anthracene-10,9'-fluorene]-9-ylidenemethyl)phenyl]aniline
SMILESC1=CC2c3ccccc3C3(c4ccccc4C(=Cc4ccc(N(c5ccc(C=C6c7ccccc7C7(c8ccccc86)c6ccccc6-c6ccccc67)cc5)c5ccc(C=C6c7ccccc7C7(c8ccccc86)c6ccccc6-c6ccccc67)cc5)cc4)c4ccccc43)C2C=C1
InChIInChI=1S/C99H65N/c1-13-37-85-70(25-1)71-26-2-14-38-86(71)97(85)91-43-19-7-31-76(91)82(77-32-8-20-44-92(77)97)61-64-49-55-67(56-50-64)100(68-57-51-65(52-58-68)62-83-78-33-9-21-45-93(78)98(94-46-22-10-34-79(83)94)87-39-15-3-27-72(87)73-28-4-16-40-88(73)98)69-59-53-66(54-60-69)63-84-80-35-11-23-47-95(80)99(96-48-24-12-36-81(84)96)89-41-17-5-29-74(89)75-30-6-18-42-90(75)99/h1-63,70,85H/b82-61-
InChIKeyGAWFBZXJWQVZPK-ZBUHMDPSSA-N
MW1268.62 g/mol
LogP23.76
Rot. Bonds6

About 4-(spiro[4a,9a-dihydrofluorene-9,10'-anthracene]-9'-ylidenemethyl)-N,N-bis[4-(spiro[anthracene-10,9'-fluorene]-9-ylidenemethyl)phenyl]aniline

4-(spiro[4a,9a-dihydrofluorene-9,10'-anthracene]-9'-ylidenemethyl)-N,N-bis[4-(spiro[anthracene-10,9'-fluorene]-9-ylidenemethyl)phenyl]aniline (PubChem CID 89177572) has the molecular formula C99H65N and a molecular weight of 1268.62 g/mol. Its IUPAC name is 4-(spiro[4a,9a-dihydrofluorene-9,10'-anthracene]-9'-ylidenemethyl)-N,N-bis[4-(spiro[anthracene-10,9'-fluorene]-9-ylidenemethyl)phenyl]aniline.

Molecular Properties

Compound Name4-(spiro[4a,9a-dihydrofluorene-9,10'-anthracene]-9'-ylidenemethyl)-N,N-bis[4-(spiro[anthracene-10,9'-fluorene]-9-ylidenemethyl)phenyl]aniline
PubChem CID89177572
Molecular FormulaC99H65N
Molecular Weight1268.62 g/mol
Exact Mass1267.51
IUPAC Name4-(spiro[4a,9a-dihydrofluorene-9,10'-anthracene]-9'-ylidenemethyl)-N,N-bis[4-(spiro[anthracene-10,9'-fluorene]-9-ylidenemethyl)phenyl]aniline
SMILESC1=CC2c3ccccc3C3(c4ccccc4C(=Cc4ccc(N(c5ccc(C=C6c7ccccc7C7(c8ccccc86)c6ccccc6-c6ccccc67)cc5)c5ccc(C=C6c7ccccc7C7(c8ccccc86)c6ccccc6-c6ccccc67)cc5)cc4)c4ccccc43)C2C=C1
InChIInChI=1S/C99H65N/c1-13-37-85-70(25-1)71-26-2-14-38-86(71)97(85)91-43-19-7-31-76(91)82(77-32-8-20-44-92(77)97)61-64-49-55-67(56-50-64)100(68-57-51-65(52-58-68)62-83-78-33-9-21-45-93(78)98(94-46-22-10-34-79(83)94)87-39-15-3-27-72(87)73-28-4-16-40-88(73)98)69-59-53-66(54-60-69)63-84-80-35-11-23-47-95(80)99(96-48-24-12-36-81(84)96)89-41-17-5-29-74(89)75-30-6-18-42-90(75)99/h1-63,70,85H/b82-61-
InChIKeyGAWFBZXJWQVZPK-ZBUHMDPSSA-N
XLogP23.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001268.62
LogP ≤ 523.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_B(8)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-(spiro[4a,9a-dihydrofluorene-9,10'-anthracene]-9'-ylidenemethyl)-N,N-bis[4-(spiro[anthracene-10,9'-fluorene]-9-ylidenemethyl)phenyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(spiro[4a,9a-dihydrofluorene-9,10'-anthracene]-9'-ylidenemethyl)-N,N-bis[4-(spiro[anthracene-10,9'-fluorene]-9-ylidenemethyl)phenyl]aniline?
The IUPAC name of 4-(spiro[4a,9a-dihydrofluorene-9,10'-anthracene]-9'-ylidenemethyl)-N,N-bis[4-(spiro[anthracene-10,9'-fluorene]-9-ylidenemethyl)phenyl]aniline (CID 89177572) is 4-(spiro[4a,9a-dihydrofluorene-9,10'-anthracene]-9'-ylidenemethyl)-N,N-bis[4-(spiro[anthracene-10,9'-fluorene]-9-ylidenemethyl)phenyl]aniline.
What is the SMILES notation for 4-(spiro[4a,9a-dihydrofluorene-9,10'-anthracene]-9'-ylidenemethyl)-N,N-bis[4-(spiro[anthracene-10,9'-fluorene]-9-ylidenemethyl)phenyl]aniline?
The canonical SMILES for 4-(spiro[4a,9a-dihydrofluorene-9,10'-anthracene]-9'-ylidenemethyl)-N,N-bis[4-(spiro[anthracene-10,9'-fluorene]-9-ylidenemethyl)phenyl]aniline is C1=CC2c3ccccc3C3(c4ccccc4C(=Cc4ccc(N(c5ccc(C=C6c7ccccc7C7(c8ccccc86)c6ccccc6-c6ccccc67)cc5)c5ccc(C=C6c7ccccc7C7(c8ccccc86)c6ccccc6-c6ccccc67)cc5)cc4)c4ccccc43)C2C=C1.
What is the InChIKey of 4-(spiro[4a,9a-dihydrofluorene-9,10'-anthracene]-9'-ylidenemethyl)-N,N-bis[4-(spiro[anthracene-10,9'-fluorene]-9-ylidenemethyl)phenyl]aniline?
The InChIKey is GAWFBZXJWQVZPK-ZBUHMDPSSA-N. The full InChI is InChI=1S/C99H65N/c1-13-37-85-70(25-1)71-26-2-14-38-86(71)97(85)91-43-19-7-31-76(91)82(77-32-8-20-44-92(77)97)61-64-49-55-67(56-50-64)100(68-57-51-65(52-58-68)62-83-78-33-9-21-45-93(78)98(94-46-22-10-34-79(83)94)87-39-15-3-27-72(87)73-28-4-16-40-88(73)98)69-59-53-66(54-60-69)63-84-80-35-11-23-47-95(80)99(96-48-24-12-36-81(84)96)89-41-17-5-29-74(89)75-30-6-18-42-90(75)99/h1-63,70,85H/b82-61-.
What are the key properties of 4-(spiro[4a,9a-dihydrofluorene-9,10'-anthracene]-9'-ylidenemethyl)-N,N-bis[4-(spiro[anthracene-10,9'-fluorene]-9-ylidenemethyl)phenyl]aniline?
4-(spiro[4a,9a-dihydrofluorene-9,10'-anthracene]-9'-ylidenemethyl)-N,N-bis[4-(spiro[anthracene-10,9'-fluorene]-9-ylidenemethyl)phenyl]aniline has a molecular weight of 1268.62 g/mol, XLogP of 23.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(spiro[4a,9a-dihydrofluorene-9,10'-anthracene]-9'-ylidenemethyl)-N,N-bis[4-(spiro[anthracene-10,9'-fluorene]-9-ylidenemethyl)phenyl]aniline is sourced from PubChem (CID 89177572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).