2'-[(1Z)-buta-1,3-dienyl]-N-phenyl-N-[4-[4-(N-[4-[2-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]phenyl]anilino)phenyl]phenyl]spiro[fluorene-9,3'-indene]-5'-amine

C73H54N2 — CID 143240276

IUPAC2'-[(1Z)-buta-1,3-dienyl]-N-phenyl-N-[4-[4-(N-[4-[2-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]phenyl]anilino)phenyl]phenyl]spiro[fluorene-9,3'-indene]-5'-amine
SMILESC=C/C=C\C1=Cc2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(C6=C(c7ccccc7-c7ccccc7)CCC=C6)cc5)cc4)cc3)cc2C12c1ccccc1-c1ccccc12
InChIInChI=1S/C73H54N2/c1-2-3-23-57-50-56-42-49-63(51-72(56)73(57)70-34-19-17-32-68(70)69-33-18-20-35-71(69)73)75(59-26-11-6-12-27-59)62-45-38-53(39-46-62)52-36-43-60(44-37-52)74(58-24-9-5-10-25-58)61-47-40-55(41-48-61)65-29-14-16-31-67(65)66-30-15-13-28-64(66)54-21-7-4-8-22-54/h2-15,17-30,32-51H,1,16,31H2/b23-3-
InChIKeyDAFWPEONQMJFRL-LNQJRUQSSA-N
MW959.25 g/mol
LogP19.67
Rot. Bonds12

About 2'-[(1Z)-buta-1,3-dienyl]-N-phenyl-N-[4-[4-(N-[4-[2-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]phenyl]anilino)phenyl]phenyl]spiro[fluorene-9,3'-indene]-5'-amine

2'-[(1Z)-buta-1,3-dienyl]-N-phenyl-N-[4-[4-(N-[4-[2-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]phenyl]anilino)phenyl]phenyl]spiro[fluorene-9,3'-indene]-5'-amine (PubChem CID 143240276) has the molecular formula C73H54N2 and a molecular weight of 959.25 g/mol. Its IUPAC name is 2'-[(1Z)-buta-1,3-dienyl]-N-phenyl-N-[4-[4-(N-[4-[2-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]phenyl]anilino)phenyl]phenyl]spiro[fluorene-9,3'-indene]-5'-amine.

Molecular Properties

Compound Name2'-[(1Z)-buta-1,3-dienyl]-N-phenyl-N-[4-[4-(N-[4-[2-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]phenyl]anilino)phenyl]phenyl]spiro[fluorene-9,3'-indene]-5'-amine
PubChem CID143240276
Molecular FormulaC73H54N2
Molecular Weight959.25 g/mol
Exact Mass958.43
IUPAC Name2'-[(1Z)-buta-1,3-dienyl]-N-phenyl-N-[4-[4-(N-[4-[2-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]phenyl]anilino)phenyl]phenyl]spiro[fluorene-9,3'-indene]-5'-amine
SMILESC=C/C=C\C1=Cc2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(C6=C(c7ccccc7-c7ccccc7)CCC=C6)cc5)cc4)cc3)cc2C12c1ccccc1-c1ccccc12
InChIInChI=1S/C73H54N2/c1-2-3-23-57-50-56-42-49-63(51-72(56)73(57)70-34-19-17-32-68(70)69-33-18-20-35-71(69)73)75(59-26-11-6-12-27-59)62-45-38-53(39-46-62)52-36-43-60(44-37-52)74(58-24-9-5-10-25-58)61-47-40-55(41-48-61)65-29-14-16-31-67(65)66-30-15-13-28-64(66)54-21-7-4-8-22-54/h2-15,17-30,32-51H,1,16,31H2/b23-3-
InChIKeyDAFWPEONQMJFRL-LNQJRUQSSA-N
XLogP19.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500959.25
LogP ≤ 519.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2'-[(1Z)-buta-1,3-dienyl]-N-phenyl-N-[4-[4-(N-[4-[2-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]phenyl]anilino)phenyl]phenyl]spiro[fluorene-9,3'-indene]-5'-amine with MolForge

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Related Compounds

N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 143240280
N,4-diphenyl-N-[4-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]phenyl]aniline
CID 70822820
N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(3-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine
CID 145331604
N-[4-(8,9-dihydrodibenzofuran-1-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 142481157
9,9-dimethyl-N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene]-4-ylphenyl)fluoren-2-amine
CID 121391863
N-[2-[(1Z)-buta-1,3-dienyl]-3,3-dimethylinden-5-yl]-N-(2-cyclohexa-1,5-dien-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 155475879
N,4-diphenyl-N-[4-[2-[3-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]aniline
CID 130231435
5-N',5-N',14-N',14-N'-tetraphenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]-5',14'-diamine
CID 102322828
N-[4-[4-(cyclodecapentaenyl)phenyl]-3-phenylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 134194372
9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N,9-diphenylfluoren-2-amine
CID 167297491
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 155079035
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092

Frequently Asked Questions

What is the IUPAC name of 2'-[(1Z)-buta-1,3-dienyl]-N-phenyl-N-[4-[4-(N-[4-[2-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]phenyl]anilino)phenyl]phenyl]spiro[fluorene-9,3'-indene]-5'-amine?
The IUPAC name of 2'-[(1Z)-buta-1,3-dienyl]-N-phenyl-N-[4-[4-(N-[4-[2-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]phenyl]anilino)phenyl]phenyl]spiro[fluorene-9,3'-indene]-5'-amine (CID 143240276) is 2'-[(1Z)-buta-1,3-dienyl]-N-phenyl-N-[4-[4-(N-[4-[2-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]phenyl]anilino)phenyl]phenyl]spiro[fluorene-9,3'-indene]-5'-amine.
What is the SMILES notation for 2'-[(1Z)-buta-1,3-dienyl]-N-phenyl-N-[4-[4-(N-[4-[2-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]phenyl]anilino)phenyl]phenyl]spiro[fluorene-9,3'-indene]-5'-amine?
The canonical SMILES for 2'-[(1Z)-buta-1,3-dienyl]-N-phenyl-N-[4-[4-(N-[4-[2-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]phenyl]anilino)phenyl]phenyl]spiro[fluorene-9,3'-indene]-5'-amine is C=C/C=C\C1=Cc2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(C6=C(c7ccccc7-c7ccccc7)CCC=C6)cc5)cc4)cc3)cc2C12c1ccccc1-c1ccccc12.
What is the InChIKey of 2'-[(1Z)-buta-1,3-dienyl]-N-phenyl-N-[4-[4-(N-[4-[2-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]phenyl]anilino)phenyl]phenyl]spiro[fluorene-9,3'-indene]-5'-amine?
The InChIKey is DAFWPEONQMJFRL-LNQJRUQSSA-N. The full InChI is InChI=1S/C73H54N2/c1-2-3-23-57-50-56-42-49-63(51-72(56)73(57)70-34-19-17-32-68(70)69-33-18-20-35-71(69)73)75(59-26-11-6-12-27-59)62-45-38-53(39-46-62)52-36-43-60(44-37-52)74(58-24-9-5-10-25-58)61-47-40-55(41-48-61)65-29-14-16-31-67(65)66-30-15-13-28-64(66)54-21-7-4-8-22-54/h2-15,17-30,32-51H,1,16,31H2/b23-3-.
What are the key properties of 2'-[(1Z)-buta-1,3-dienyl]-N-phenyl-N-[4-[4-(N-[4-[2-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]phenyl]anilino)phenyl]phenyl]spiro[fluorene-9,3'-indene]-5'-amine?
2'-[(1Z)-buta-1,3-dienyl]-N-phenyl-N-[4-[4-(N-[4-[2-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]phenyl]anilino)phenyl]phenyl]spiro[fluorene-9,3'-indene]-5'-amine has a molecular weight of 959.25 g/mol, XLogP of 19.67, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[(1Z)-buta-1,3-dienyl]-N-phenyl-N-[4-[4-(N-[4-[2-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]phenyl]anilino)phenyl]phenyl]spiro[fluorene-9,3'-indene]-5'-amine is sourced from PubChem (CID 143240276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).