9-cyclohexa-1,3-dien-1-yl-9-phenyl-N-[(4-phenylphenyl)methyl]spiro[anthracene-10,9'-fluorene]-2'-amine;ethane;hydrazine;toluene

C60H57N3 — CID 142504501

IUPAC9-cyclohexa-1,3-dien-1-yl-9-phenyl-N-[(4-phenylphenyl)methyl]spiro[anthracene-10,9'-fluorene]-2'-amine;ethane;hydrazine;toluene
SMILESC1=CCCC(C2(c3ccccc3)c3ccccc3C3(c4ccccc4-c4ccc(NCc5ccc(-c6ccccc6)cc5)cc43)c3ccccc32)=C1.CC.Cc1ccccc1.NN
InChIInChI=1S/C51H39N.C7H8.C2H6.H4N2/c1-4-16-37(17-5-1)38-30-28-36(29-31-38)35-52-41-32-33-43-42-22-10-11-23-44(42)51(49(43)34-41)47-26-14-12-24-45(47)50(39-18-6-2-7-19-39,40-20-8-3-9-21-40)46-25-13-15-27-48(46)51;1-7-5-3-2-4-6-7;2*1-2/h1-8,10-20,22-34,52H,9,21,35H2;2-6H,1H3;1-2H3;1-2H2
InChIKeyFFGMTANVTYHCCW-UHFFFAOYSA-N
MW820.14 g/mol
LogP14.09
Rot. Bonds6

About 9-cyclohexa-1,3-dien-1-yl-9-phenyl-N-[(4-phenylphenyl)methyl]spiro[anthracene-10,9'-fluorene]-2'-amine;ethane;hydrazine;toluene

9-cyclohexa-1,3-dien-1-yl-9-phenyl-N-[(4-phenylphenyl)methyl]spiro[anthracene-10,9'-fluorene]-2'-amine;ethane;hydrazine;toluene (PubChem CID 142504501) has the molecular formula C60H57N3 and a molecular weight of 820.14 g/mol. Its IUPAC name is 9-cyclohexa-1,3-dien-1-yl-9-phenyl-N-[(4-phenylphenyl)methyl]spiro[anthracene-10,9'-fluorene]-2'-amine;ethane;hydrazine;toluene.

Molecular Properties

Compound Name9-cyclohexa-1,3-dien-1-yl-9-phenyl-N-[(4-phenylphenyl)methyl]spiro[anthracene-10,9'-fluorene]-2'-amine;ethane;hydrazine;toluene
PubChem CID142504501
Molecular FormulaC60H57N3
Molecular Weight820.14 g/mol
Exact Mass819.46
IUPAC Name9-cyclohexa-1,3-dien-1-yl-9-phenyl-N-[(4-phenylphenyl)methyl]spiro[anthracene-10,9'-fluorene]-2'-amine;ethane;hydrazine;toluene
SMILESC1=CCCC(C2(c3ccccc3)c3ccccc3C3(c4ccccc4-c4ccc(NCc5ccc(-c6ccccc6)cc5)cc43)c3ccccc32)=C1.CC.Cc1ccccc1.NN
InChIInChI=1S/C51H39N.C7H8.C2H6.H4N2/c1-4-16-37(17-5-1)38-30-28-36(29-31-38)35-52-41-32-33-43-42-22-10-11-23-44(42)51(49(43)34-41)47-26-14-12-24-45(47)50(39-18-6-2-7-19-39,40-20-8-3-9-21-40)46-25-13-15-27-48(46)51;1-7-5-3-2-4-6-7;2*1-2/h1-8,10-20,22-34,52H,9,21,35H2;2-6H,1H3;1-2H3;1-2H2
InChIKeyFFGMTANVTYHCCW-UHFFFAOYSA-N
XLogP14.09
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.14
LogP ≤ 514.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
CID 144583099
2-cyclohexa-1,3-dien-1-yl-9,9'-spirobi[fluorene]
CID 142381902
3-N-(9,9-diphenylfluoren-2-yl)-1-N-(3-methylphenyl)-5-phenylbenzene-1,3-diamine
CID 139380106
2',7'-bis(4-methylphenyl)-2,7-diphenyl-9,9'-spirobi[fluorene];ethane
CID 91153599
dibenzothiophene;9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 142480827
4-(cyclohexen-1-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]aniline
CID 154955243
9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
CID 58894820
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 166861507
2-cyclopenta-1,3-dien-1-yl-9,9'-spirobi[fluorene]
CID 158389745
N-[4-(1-benzofuran-5-yl)phenyl]-9-cyclohexa-1,3-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-9-phenylfluoren-1-amine
CID 177099038
9-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-4-ylphenyl)-N-(3,4-dimethylnaphthalen-1-yl)-9-phenylfluoren-2-amine
CID 144660484

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-1,3-dien-1-yl-9-phenyl-N-[(4-phenylphenyl)methyl]spiro[anthracene-10,9'-fluorene]-2'-amine;ethane;hydrazine;toluene?
The IUPAC name of 9-cyclohexa-1,3-dien-1-yl-9-phenyl-N-[(4-phenylphenyl)methyl]spiro[anthracene-10,9'-fluorene]-2'-amine;ethane;hydrazine;toluene (CID 142504501) is 9-cyclohexa-1,3-dien-1-yl-9-phenyl-N-[(4-phenylphenyl)methyl]spiro[anthracene-10,9'-fluorene]-2'-amine;ethane;hydrazine;toluene.
What is the SMILES notation for 9-cyclohexa-1,3-dien-1-yl-9-phenyl-N-[(4-phenylphenyl)methyl]spiro[anthracene-10,9'-fluorene]-2'-amine;ethane;hydrazine;toluene?
The canonical SMILES for 9-cyclohexa-1,3-dien-1-yl-9-phenyl-N-[(4-phenylphenyl)methyl]spiro[anthracene-10,9'-fluorene]-2'-amine;ethane;hydrazine;toluene is C1=CCCC(C2(c3ccccc3)c3ccccc3C3(c4ccccc4-c4ccc(NCc5ccc(-c6ccccc6)cc5)cc43)c3ccccc32)=C1.CC.Cc1ccccc1.NN.
What is the InChIKey of 9-cyclohexa-1,3-dien-1-yl-9-phenyl-N-[(4-phenylphenyl)methyl]spiro[anthracene-10,9'-fluorene]-2'-amine;ethane;hydrazine;toluene?
The InChIKey is FFGMTANVTYHCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39N.C7H8.C2H6.H4N2/c1-4-16-37(17-5-1)38-30-28-36(29-31-38)35-52-41-32-33-43-42-22-10-11-23-44(42)51(49(43)34-41)47-26-14-12-24-45(47)50(39-18-6-2-7-19-39,40-20-8-3-9-21-40)46-25-13-15-27-48(46)51;1-7-5-3-2-4-6-7;2*1-2/h1-8,10-20,22-34,52H,9,21,35H2;2-6H,1H3;1-2H3;1-2H2.
What are the key properties of 9-cyclohexa-1,3-dien-1-yl-9-phenyl-N-[(4-phenylphenyl)methyl]spiro[anthracene-10,9'-fluorene]-2'-amine;ethane;hydrazine;toluene?
9-cyclohexa-1,3-dien-1-yl-9-phenyl-N-[(4-phenylphenyl)methyl]spiro[anthracene-10,9'-fluorene]-2'-amine;ethane;hydrazine;toluene has a molecular weight of 820.14 g/mol, XLogP of 14.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-1,3-dien-1-yl-9-phenyl-N-[(4-phenylphenyl)methyl]spiro[anthracene-10,9'-fluorene]-2'-amine;ethane;hydrazine;toluene is sourced from PubChem (CID 142504501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).