2-N'-[(2E,4Z)-1-phenylhepta-2,4,6-trien-2-yl]-4-N-(2-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine

C74H54N2 — CID 146527189

IUPAC2-N'-[(2E,4Z)-1-phenylhepta-2,4,6-trien-2-yl]-4-N-(2-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
SMILESC=C/C=C\C=C(/Cc1ccccc1)N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)cccc21
InChIInChI=1S/C74H54N2/c1-2-3-8-32-61(51-53-24-9-4-10-25-53)75(59-45-41-56(42-46-59)54-26-11-5-12-27-54)62-49-50-65-64-34-17-20-36-67(64)74(70(65)52-62)68-37-21-18-35-66(68)73-69(74)38-23-40-72(73)76(60-47-43-57(44-48-60)55-28-13-6-14-29-55)71-39-22-19-33-63(71)58-30-15-7-16-31-58/h2-50,52H,1,51H2/b8-3-,61-32+
InChIKeySBHVAKCSVDTENN-BQGFKBNRSA-N
MW971.26 g/mol
LogP19.51
Rot. Bonds13

About 2-N'-[(2E,4Z)-1-phenylhepta-2,4,6-trien-2-yl]-4-N-(2-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine

2-N'-[(2E,4Z)-1-phenylhepta-2,4,6-trien-2-yl]-4-N-(2-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine (PubChem CID 146527189) has the molecular formula C74H54N2 and a molecular weight of 971.26 g/mol. Its IUPAC name is 2-N'-[(2E,4Z)-1-phenylhepta-2,4,6-trien-2-yl]-4-N-(2-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine.

Molecular Properties

Compound Name2-N'-[(2E,4Z)-1-phenylhepta-2,4,6-trien-2-yl]-4-N-(2-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
PubChem CID146527189
Molecular FormulaC74H54N2
Molecular Weight971.26 g/mol
Exact Mass970.43
IUPAC Name2-N'-[(2E,4Z)-1-phenylhepta-2,4,6-trien-2-yl]-4-N-(2-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
SMILESC=C/C=C\C=C(/Cc1ccccc1)N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)cccc21
InChIInChI=1S/C74H54N2/c1-2-3-8-32-61(51-53-24-9-4-10-25-53)75(59-45-41-56(42-46-59)54-26-11-5-12-27-54)62-49-50-65-64-34-17-20-36-67(64)74(70(65)52-62)68-37-21-18-35-66(68)73-69(74)38-23-40-72(73)76(60-47-43-57(44-48-60)55-28-13-6-14-29-55)71-39-22-19-33-63(71)58-30-15-7-16-31-58/h2-50,52H,1,51H2/b8-3-,61-32+
InChIKeySBHVAKCSVDTENN-BQGFKBNRSA-N
XLogP19.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500971.26
LogP ≤ 519.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-N'-[(2E,4Z)-1-phenylhepta-2,4,6-trien-2-yl]-4-N-(2-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine with MolForge

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Related Compounds

2'-[4-(N-phenylanilino)phenyl]-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 140915456
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 174159235
2-N'-(9,9-dimethylfluoren-2-yl)-2-N'-phenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915496
N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168789323
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 138631295
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2'-amine
CID 138477297
2-N'-phenyl-4-N-(3-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915431
2-N'-phenyl-2-N'-(3-phenylphenyl)-4-N,4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915444
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[a]fluorene-11,9'-xanthene]-7-amine
CID 138477419
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138477453
N,2-diphenyl-N-[4-[4'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]aniline
CID 140915383
N-[4-(3-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 168789232

Frequently Asked Questions

What is the IUPAC name of 2-N'-[(2E,4Z)-1-phenylhepta-2,4,6-trien-2-yl]-4-N-(2-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine?
The IUPAC name of 2-N'-[(2E,4Z)-1-phenylhepta-2,4,6-trien-2-yl]-4-N-(2-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine (CID 146527189) is 2-N'-[(2E,4Z)-1-phenylhepta-2,4,6-trien-2-yl]-4-N-(2-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine.
What is the SMILES notation for 2-N'-[(2E,4Z)-1-phenylhepta-2,4,6-trien-2-yl]-4-N-(2-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine?
The canonical SMILES for 2-N'-[(2E,4Z)-1-phenylhepta-2,4,6-trien-2-yl]-4-N-(2-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine is C=C/C=C\C=C(/Cc1ccccc1)N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)cccc21.
What is the InChIKey of 2-N'-[(2E,4Z)-1-phenylhepta-2,4,6-trien-2-yl]-4-N-(2-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine?
The InChIKey is SBHVAKCSVDTENN-BQGFKBNRSA-N. The full InChI is InChI=1S/C74H54N2/c1-2-3-8-32-61(51-53-24-9-4-10-25-53)75(59-45-41-56(42-46-59)54-26-11-5-12-27-54)62-49-50-65-64-34-17-20-36-67(64)74(70(65)52-62)68-37-21-18-35-66(68)73-69(74)38-23-40-72(73)76(60-47-43-57(44-48-60)55-28-13-6-14-29-55)71-39-22-19-33-63(71)58-30-15-7-16-31-58/h2-50,52H,1,51H2/b8-3-,61-32+.
What are the key properties of 2-N'-[(2E,4Z)-1-phenylhepta-2,4,6-trien-2-yl]-4-N-(2-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine?
2-N'-[(2E,4Z)-1-phenylhepta-2,4,6-trien-2-yl]-4-N-(2-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine has a molecular weight of 971.26 g/mol, XLogP of 19.51, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-[(2E,4Z)-1-phenylhepta-2,4,6-trien-2-yl]-4-N-(2-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine is sourced from PubChem (CID 146527189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).