2'-[(Z)-3-aminoprop-1-enyl]-N-(9,9-dimethylfluoren-2-yl)-3'-methyl-N-(5-phenylcyclohepta-1,4,6-trien-1-yl)spiro[4a,9a-dihydrofluorene-9,1'-indene]-2-amine

C53H46N2 — CID 166865639

IUPAC2'-[(Z)-3-aminoprop-1-enyl]-N-(9,9-dimethylfluoren-2-yl)-3'-methyl-N-(5-phenylcyclohepta-1,4,6-trien-1-yl)spiro[4a,9a-dihydrofluorene-9,1'-indene]-2-amine
SMILESCC1=C(/C=C\CN)C2(c3ccccc31)c1ccccc1C1C=CC(N(C3=CCC=C(c4ccccc4)C=C3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)=CC12
InChIInChI=1S/C53H46N2/c1-35-41-19-7-11-23-48(41)53(46(35)25-14-32-54)49-24-12-9-21-43(49)45-31-29-40(34-51(45)53)55(38-18-13-17-37(26-27-38)36-15-5-4-6-16-36)39-28-30-44-42-20-8-10-22-47(42)52(2,3)50(44)33-39/h4-12,14-31,33-34,45,51H,13,32,54H2,1-3H3/b25-14-
InChIKeyDSWGFVWKICYTQN-QFEZKATASA-N
MW710.97 g/mol
LogP12.18
Rot. Bonds6

About 2'-[(Z)-3-aminoprop-1-enyl]-N-(9,9-dimethylfluoren-2-yl)-3'-methyl-N-(5-phenylcyclohepta-1,4,6-trien-1-yl)spiro[4a,9a-dihydrofluorene-9,1'-indene]-2-amine

2'-[(Z)-3-aminoprop-1-enyl]-N-(9,9-dimethylfluoren-2-yl)-3'-methyl-N-(5-phenylcyclohepta-1,4,6-trien-1-yl)spiro[4a,9a-dihydrofluorene-9,1'-indene]-2-amine (PubChem CID 166865639) has the molecular formula C53H46N2 and a molecular weight of 710.97 g/mol. Its IUPAC name is 2'-[(Z)-3-aminoprop-1-enyl]-N-(9,9-dimethylfluoren-2-yl)-3'-methyl-N-(5-phenylcyclohepta-1,4,6-trien-1-yl)spiro[4a,9a-dihydrofluorene-9,1'-indene]-2-amine.

Molecular Properties

Compound Name2'-[(Z)-3-aminoprop-1-enyl]-N-(9,9-dimethylfluoren-2-yl)-3'-methyl-N-(5-phenylcyclohepta-1,4,6-trien-1-yl)spiro[4a,9a-dihydrofluorene-9,1'-indene]-2-amine
PubChem CID166865639
Molecular FormulaC53H46N2
Molecular Weight710.97 g/mol
Exact Mass710.37
IUPAC Name2'-[(Z)-3-aminoprop-1-enyl]-N-(9,9-dimethylfluoren-2-yl)-3'-methyl-N-(5-phenylcyclohepta-1,4,6-trien-1-yl)spiro[4a,9a-dihydrofluorene-9,1'-indene]-2-amine
SMILESCC1=C(/C=C\CN)C2(c3ccccc31)c1ccccc1C1C=CC(N(C3=CCC=C(c4ccccc4)C=C3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)=CC12
InChIInChI=1S/C53H46N2/c1-35-41-19-7-11-23-48(41)53(46(35)25-14-32-54)49-24-12-9-21-43(49)45-31-29-40(34-51(45)53)55(38-18-13-17-37(26-27-38)36-15-5-4-6-16-36)39-28-30-44-42-20-8-10-22-47(42)52(2,3)50(44)33-39/h4-12,14-31,33-34,45,51H,13,32,54H2,1-3H3/b25-14-
InChIKeyDSWGFVWKICYTQN-QFEZKATASA-N
XLogP12.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.97
LogP ≤ 512.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2'-[(Z)-3-aminoprop-1-enyl]-N-(9,9-dimethylfluoren-2-yl)-3'-methyl-N-(5-phenylcyclohepta-1,4,6-trien-1-yl)spiro[4a,9a-dihydrofluorene-9,1'-indene]-2-amine with MolForge

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Related Compounds

N-(5-phenylcyclohepta-1,4,6-trien-1-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 138555374
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-3-amine
CID 174252364
2-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylcyclohexa-2,4-dien-1-yl)-2-N',2-N'-bis(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2'-diamine
CID 88673461
N-(3,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine
CID 134320783
N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)-4a,9a-dihydrofluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-amine
CID 146516748
4-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 70917255
9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine
CID 123266293
11-N-(9,9-dimethylfluoren-2-yl)-5-N,5-N,11-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9(17),10,12,14-heptaene-5,11-diamine
CID 168855932
N-[2-[2-[2-(N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenyltriphenylen-2-amine
CID 155010298
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)-5,6,7a,11a-tetrahydrofluoreno[5,6-b][1]benzothiol-9-amine
CID 163512500
9,9-dimethyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine
CID 118369414
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]ethenyl]phenyl]fluoren-2-amine
CID 90889703

Frequently Asked Questions

What is the IUPAC name of 2'-[(Z)-3-aminoprop-1-enyl]-N-(9,9-dimethylfluoren-2-yl)-3'-methyl-N-(5-phenylcyclohepta-1,4,6-trien-1-yl)spiro[4a,9a-dihydrofluorene-9,1'-indene]-2-amine?
The IUPAC name of 2'-[(Z)-3-aminoprop-1-enyl]-N-(9,9-dimethylfluoren-2-yl)-3'-methyl-N-(5-phenylcyclohepta-1,4,6-trien-1-yl)spiro[4a,9a-dihydrofluorene-9,1'-indene]-2-amine (CID 166865639) is 2'-[(Z)-3-aminoprop-1-enyl]-N-(9,9-dimethylfluoren-2-yl)-3'-methyl-N-(5-phenylcyclohepta-1,4,6-trien-1-yl)spiro[4a,9a-dihydrofluorene-9,1'-indene]-2-amine.
What is the SMILES notation for 2'-[(Z)-3-aminoprop-1-enyl]-N-(9,9-dimethylfluoren-2-yl)-3'-methyl-N-(5-phenylcyclohepta-1,4,6-trien-1-yl)spiro[4a,9a-dihydrofluorene-9,1'-indene]-2-amine?
The canonical SMILES for 2'-[(Z)-3-aminoprop-1-enyl]-N-(9,9-dimethylfluoren-2-yl)-3'-methyl-N-(5-phenylcyclohepta-1,4,6-trien-1-yl)spiro[4a,9a-dihydrofluorene-9,1'-indene]-2-amine is CC1=C(/C=C\CN)C2(c3ccccc31)c1ccccc1C1C=CC(N(C3=CCC=C(c4ccccc4)C=C3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)=CC12.
What is the InChIKey of 2'-[(Z)-3-aminoprop-1-enyl]-N-(9,9-dimethylfluoren-2-yl)-3'-methyl-N-(5-phenylcyclohepta-1,4,6-trien-1-yl)spiro[4a,9a-dihydrofluorene-9,1'-indene]-2-amine?
The InChIKey is DSWGFVWKICYTQN-QFEZKATASA-N. The full InChI is InChI=1S/C53H46N2/c1-35-41-19-7-11-23-48(41)53(46(35)25-14-32-54)49-24-12-9-21-43(49)45-31-29-40(34-51(45)53)55(38-18-13-17-37(26-27-38)36-15-5-4-6-16-36)39-28-30-44-42-20-8-10-22-47(42)52(2,3)50(44)33-39/h4-12,14-31,33-34,45,51H,13,32,54H2,1-3H3/b25-14-.
What are the key properties of 2'-[(Z)-3-aminoprop-1-enyl]-N-(9,9-dimethylfluoren-2-yl)-3'-methyl-N-(5-phenylcyclohepta-1,4,6-trien-1-yl)spiro[4a,9a-dihydrofluorene-9,1'-indene]-2-amine?
2'-[(Z)-3-aminoprop-1-enyl]-N-(9,9-dimethylfluoren-2-yl)-3'-methyl-N-(5-phenylcyclohepta-1,4,6-trien-1-yl)spiro[4a,9a-dihydrofluorene-9,1'-indene]-2-amine has a molecular weight of 710.97 g/mol, XLogP of 12.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[(Z)-3-aminoprop-1-enyl]-N-(9,9-dimethylfluoren-2-yl)-3'-methyl-N-(5-phenylcyclohepta-1,4,6-trien-1-yl)spiro[4a,9a-dihydrofluorene-9,1'-indene]-2-amine is sourced from PubChem (CID 166865639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).