(2Z,4Z)-N-(2',7'-diethyl-9,9'-spirobi[fluorene]-2-yl)-6-methylidene-N,1-diphenyl-1-benzazocin-8-amine

C53H42N2 — CID 143437975

IUPAC(2Z,4Z)-N-(2',7'-diethyl-9,9'-spirobi[fluorene]-2-yl)-6-methylidene-N,1-diphenyl-1-benzazocin-8-amine
SMILESC=C1/C=C\C=C/N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4cc(CC)ccc4-c4ccc(CC)cc43)cc21
InChIInChI=1S/C53H42N2/c1-4-37-23-27-44-45-28-24-38(5-2)33-50(45)53(49(44)32-37)48-22-13-12-21-43(48)46-29-25-42(35-51(46)53)55(40-19-10-7-11-20-40)41-26-30-52-47(34-41)36(3)16-14-15-31-54(52)39-17-8-6-9-18-39/h6-35H,3-5H2,1-2H3/b16-14-,31-15-
InChIKeySBZCLVXSLUXSGT-HISNPWPJSA-N
MW706.93 g/mol
LogP13.86
Rot. Bonds6

About (2Z,4Z)-N-(2',7'-diethyl-9,9'-spirobi[fluorene]-2-yl)-6-methylidene-N,1-diphenyl-1-benzazocin-8-amine

(2Z,4Z)-N-(2',7'-diethyl-9,9'-spirobi[fluorene]-2-yl)-6-methylidene-N,1-diphenyl-1-benzazocin-8-amine (PubChem CID 143437975) has the molecular formula C53H42N2 and a molecular weight of 706.93 g/mol. Its IUPAC name is (2Z,4Z)-N-(2',7'-diethyl-9,9'-spirobi[fluorene]-2-yl)-6-methylidene-N,1-diphenyl-1-benzazocin-8-amine.

Molecular Properties

Compound Name(2Z,4Z)-N-(2',7'-diethyl-9,9'-spirobi[fluorene]-2-yl)-6-methylidene-N,1-diphenyl-1-benzazocin-8-amine
PubChem CID143437975
Molecular FormulaC53H42N2
Molecular Weight706.93 g/mol
Exact Mass706.33
IUPAC Name(2Z,4Z)-N-(2',7'-diethyl-9,9'-spirobi[fluorene]-2-yl)-6-methylidene-N,1-diphenyl-1-benzazocin-8-amine
SMILESC=C1/C=C\C=C/N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4cc(CC)ccc4-c4ccc(CC)cc43)cc21
InChIInChI=1S/C53H42N2/c1-4-37-23-27-44-45-28-24-38(5-2)33-50(45)53(49(44)32-37)48-22-13-12-21-43(48)46-29-25-42(35-51(46)53)55(40-19-10-7-11-20-40)41-26-30-52-47(34-41)36(3)16-14-15-31-54(52)39-17-8-6-9-18-39/h6-35H,3-5H2,1-2H3/b16-14-,31-15-
InChIKeySBZCLVXSLUXSGT-HISNPWPJSA-N
XLogP13.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.93
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-7-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]-N,N-diphenylfluoren-2-amine
CID 129301076
N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 177067096
N-(4-carbazol-9-ylphenyl)-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine;tris(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine)
CID 162201346
N-(9,9-dimethylfluoren-2-yl)-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 134309240
N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 155114306
[7-(N-(9,9-diphenylfluoren-2-yl)anilino)-9,9-diphenylfluoren-2-yl]methanol
CID 139983986
N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476029
2-N',2-N',7-N',7-N'-tetrakis(9,9-diethylfluoren-2-yl)-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 121276321
2-chloro-11-N',11-N',17-N',17-N'-tetraphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130263577
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
2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 142481262
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 (2Z,4Z)-N-(2',7'-diethyl-9,9'-spirobi[fluorene]-2-yl)-6-methylidene-N,1-diphenyl-1-benzazocin-8-amine?
The IUPAC name of (2Z,4Z)-N-(2',7'-diethyl-9,9'-spirobi[fluorene]-2-yl)-6-methylidene-N,1-diphenyl-1-benzazocin-8-amine (CID 143437975) is (2Z,4Z)-N-(2',7'-diethyl-9,9'-spirobi[fluorene]-2-yl)-6-methylidene-N,1-diphenyl-1-benzazocin-8-amine.
What is the SMILES notation for (2Z,4Z)-N-(2',7'-diethyl-9,9'-spirobi[fluorene]-2-yl)-6-methylidene-N,1-diphenyl-1-benzazocin-8-amine?
The canonical SMILES for (2Z,4Z)-N-(2',7'-diethyl-9,9'-spirobi[fluorene]-2-yl)-6-methylidene-N,1-diphenyl-1-benzazocin-8-amine is C=C1/C=C\C=C/N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4cc(CC)ccc4-c4ccc(CC)cc43)cc21.
What is the InChIKey of (2Z,4Z)-N-(2',7'-diethyl-9,9'-spirobi[fluorene]-2-yl)-6-methylidene-N,1-diphenyl-1-benzazocin-8-amine?
The InChIKey is SBZCLVXSLUXSGT-HISNPWPJSA-N. The full InChI is InChI=1S/C53H42N2/c1-4-37-23-27-44-45-28-24-38(5-2)33-50(45)53(49(44)32-37)48-22-13-12-21-43(48)46-29-25-42(35-51(46)53)55(40-19-10-7-11-20-40)41-26-30-52-47(34-41)36(3)16-14-15-31-54(52)39-17-8-6-9-18-39/h6-35H,3-5H2,1-2H3/b16-14-,31-15-.
What are the key properties of (2Z,4Z)-N-(2',7'-diethyl-9,9'-spirobi[fluorene]-2-yl)-6-methylidene-N,1-diphenyl-1-benzazocin-8-amine?
(2Z,4Z)-N-(2',7'-diethyl-9,9'-spirobi[fluorene]-2-yl)-6-methylidene-N,1-diphenyl-1-benzazocin-8-amine has a molecular weight of 706.93 g/mol, XLogP of 13.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N-(2',7'-diethyl-9,9'-spirobi[fluorene]-2-yl)-6-methylidene-N,1-diphenyl-1-benzazocin-8-amine is sourced from PubChem (CID 143437975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).