2'-[(Z)-but-1-enyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-3',4',4'-trimethylspiro[fluorene-9,1'-naphthalene]-3-amine

C59H53N — CID 142481330

IUPAC2'-[(Z)-but-1-enyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-3',4',4'-trimethylspiro[fluorene-9,1'-naphthalene]-3-amine
SMILESCC/C=C\C1=C(C)C(C)(C)c2ccccc2C12c1ccccc1-c1cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc12
InChIInChI=1S/C59H53N/c1-9-10-22-47-37(2)56(3,4)52-26-17-18-27-53(52)59(47)50-25-16-13-21-43(50)46-34-38(30-33-51(46)59)60(39-28-31-44-41-19-11-14-23-48(41)57(5,6)54(44)35-39)40-29-32-45-42-20-12-15-24-49(42)58(7,8)55(45)36-40/h10-36H,9H2,1-8H3/b22-10-
InChIKeyLTSUINHNQGOHFS-YVNNLAQVSA-N
MW776.08 g/mol
LogP15.66
Rot. Bonds5

About 2'-[(Z)-but-1-enyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-3',4',4'-trimethylspiro[fluorene-9,1'-naphthalene]-3-amine

2'-[(Z)-but-1-enyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-3',4',4'-trimethylspiro[fluorene-9,1'-naphthalene]-3-amine (PubChem CID 142481330) has the molecular formula C59H53N and a molecular weight of 776.08 g/mol. Its IUPAC name is 2'-[(Z)-but-1-enyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-3',4',4'-trimethylspiro[fluorene-9,1'-naphthalene]-3-amine.

Molecular Properties

Compound Name2'-[(Z)-but-1-enyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-3',4',4'-trimethylspiro[fluorene-9,1'-naphthalene]-3-amine
PubChem CID142481330
Molecular FormulaC59H53N
Molecular Weight776.08 g/mol
Exact Mass775.42
IUPAC Name2'-[(Z)-but-1-enyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-3',4',4'-trimethylspiro[fluorene-9,1'-naphthalene]-3-amine
SMILESCC/C=C\C1=C(C)C(C)(C)c2ccccc2C12c1ccccc1-c1cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc12
InChIInChI=1S/C59H53N/c1-9-10-22-47-37(2)56(3,4)52-26-17-18-27-53(52)59(47)50-25-16-13-21-43(50)46-34-38(30-33-51(46)59)60(39-28-31-44-41-19-11-14-23-48(41)57(5,6)54(44)35-39)40-29-32-45-42-20-12-15-24-49(42)58(7,8)55(45)36-40/h10-36H,9H2,1-8H3/b22-10-
InChIKeyLTSUINHNQGOHFS-YVNNLAQVSA-N
XLogP15.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.08
LogP ≤ 515.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bis(N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine);N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161294273
4-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N-phenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667384
N,N-bis(9,9-dimethylfluoren-3-yl)-7,9,9-trimethylfluoren-2-amine
CID 163882146
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 146247632
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
9,9-dimethyl-N,N-diphenylfluoren-3-amine
CID 126704960
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',7-N',7-N'-tris(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 58084629
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298633
7-N,9,9-trimethyl-2-N,2-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-2-yl)fluorene-2,7-diamine
CID 58903523
9,9-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-[4-[6-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine
CID 129263948
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 166663855
2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine
CID 58883844

Frequently Asked Questions

What is the IUPAC name of 2'-[(Z)-but-1-enyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-3',4',4'-trimethylspiro[fluorene-9,1'-naphthalene]-3-amine?
The IUPAC name of 2'-[(Z)-but-1-enyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-3',4',4'-trimethylspiro[fluorene-9,1'-naphthalene]-3-amine (CID 142481330) is 2'-[(Z)-but-1-enyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-3',4',4'-trimethylspiro[fluorene-9,1'-naphthalene]-3-amine.
What is the SMILES notation for 2'-[(Z)-but-1-enyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-3',4',4'-trimethylspiro[fluorene-9,1'-naphthalene]-3-amine?
The canonical SMILES for 2'-[(Z)-but-1-enyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-3',4',4'-trimethylspiro[fluorene-9,1'-naphthalene]-3-amine is CC/C=C\C1=C(C)C(C)(C)c2ccccc2C12c1ccccc1-c1cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc12.
What is the InChIKey of 2'-[(Z)-but-1-enyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-3',4',4'-trimethylspiro[fluorene-9,1'-naphthalene]-3-amine?
The InChIKey is LTSUINHNQGOHFS-YVNNLAQVSA-N. The full InChI is InChI=1S/C59H53N/c1-9-10-22-47-37(2)56(3,4)52-26-17-18-27-53(52)59(47)50-25-16-13-21-43(50)46-34-38(30-33-51(46)59)60(39-28-31-44-41-19-11-14-23-48(41)57(5,6)54(44)35-39)40-29-32-45-42-20-12-15-24-49(42)58(7,8)55(45)36-40/h10-36H,9H2,1-8H3/b22-10-.
What are the key properties of 2'-[(Z)-but-1-enyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-3',4',4'-trimethylspiro[fluorene-9,1'-naphthalene]-3-amine?
2'-[(Z)-but-1-enyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-3',4',4'-trimethylspiro[fluorene-9,1'-naphthalene]-3-amine has a molecular weight of 776.08 g/mol, XLogP of 15.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[(Z)-but-1-enyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-3',4',4'-trimethylspiro[fluorene-9,1'-naphthalene]-3-amine is sourced from PubChem (CID 142481330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).