1-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-N-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]inden-5-amine

C59H45N — CID 121463230

IUPAC1-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-N-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]inden-5-amine
SMILESC=CC1=C(/C=C\C)C(C)(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc21
InChIInChI=1S/C59H45N/c1-5-18-51-44(6-2)49-36-34-43(38-55(49)58(51,3)4)60(42-32-29-40(30-33-42)39-19-8-7-9-20-39)57-28-17-13-21-45(57)41-31-35-50-48-24-12-16-27-54(48)59(56(50)37-41)52-25-14-10-22-46(52)47-23-11-15-26-53(47)59/h5-38H,2H2,1,3-4H3/b18-5-
InChIKeyBNZOTANQQQVZFX-DVZOWYKESA-N
MW768.02 g/mol
LogP15.64
Rot. Bonds7

About 1-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-N-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]inden-5-amine

1-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-N-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]inden-5-amine (PubChem CID 121463230) has the molecular formula C59H45N and a molecular weight of 768.02 g/mol. Its IUPAC name is 1-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-N-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]inden-5-amine.

Molecular Properties

Compound Name1-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-N-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]inden-5-amine
PubChem CID121463230
Molecular FormulaC59H45N
Molecular Weight768.02 g/mol
Exact Mass767.36
IUPAC Name1-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-N-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]inden-5-amine
SMILESC=CC1=C(/C=C\C)C(C)(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc21
InChIInChI=1S/C59H45N/c1-5-18-51-44(6-2)49-36-34-43(38-55(49)58(51,3)4)60(42-32-29-40(30-33-42)39-19-8-7-9-20-39)57-28-17-13-21-45(57)41-31-35-50-48-24-12-16-27-54(48)59(56(50)37-41)52-25-14-10-22-46(52)47-23-11-15-26-53(47)59/h5-38H,2H2,1,3-4H3/b18-5-
InChIKeyBNZOTANQQQVZFX-DVZOWYKESA-N
XLogP15.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.02
LogP ≤ 515.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-chlorophenyl)-3'-ethenyl-N-(4-phenylphenyl)-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine
CID 144681311
9,9-dimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-7-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylfluoren-2-amine
CID 121391735
3-[2'-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]-N,N-bis(4-phenylphenyl)aniline;N-[2-[2-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167620529
N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 159265679
N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157078177
9,9-dimethyl-N-phenyl-N-(2-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 167176259
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298482
N-(4-dibenzofuran-4-ylphenyl)-N-[3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]inden-4-yl]-9,9'-spirobi[fluorene]-2-amine
CID 167119017
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
4-N-(9,9-dimethylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N,4-N-bis(2-phenylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 121361277
9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)fluoren-2-amine
CID 174274909
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 142481385

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-N-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]inden-5-amine?
The IUPAC name of 1-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-N-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]inden-5-amine (CID 121463230) is 1-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-N-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]inden-5-amine.
What is the SMILES notation for 1-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-N-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]inden-5-amine?
The canonical SMILES for 1-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-N-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]inden-5-amine is C=CC1=C(/C=C\C)C(C)(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc21.
What is the InChIKey of 1-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-N-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]inden-5-amine?
The InChIKey is BNZOTANQQQVZFX-DVZOWYKESA-N. The full InChI is InChI=1S/C59H45N/c1-5-18-51-44(6-2)49-36-34-43(38-55(49)58(51,3)4)60(42-32-29-40(30-33-42)39-19-8-7-9-20-39)57-28-17-13-21-45(57)41-31-35-50-48-24-12-16-27-54(48)59(56(50)37-41)52-25-14-10-22-46(52)47-23-11-15-26-53(47)59/h5-38H,2H2,1,3-4H3/b18-5-.
What are the key properties of 1-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-N-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]inden-5-amine?
1-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-N-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]inden-5-amine has a molecular weight of 768.02 g/mol, XLogP of 15.64, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-N-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]inden-5-amine is sourced from PubChem (CID 121463230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).