N-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(cyclohexen-1-yl)-2'-[4-(N-cyclohex-3-en-1-ylanilino)cyclohexa-1,3-dien-1-yl]-9,9'-spirobi[fluorene]-4-amine

C61H54N2 — CID 135217918

IUPACN-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(cyclohexen-1-yl)-2'-[4-(N-cyclohex-3-en-1-ylanilino)cyclohexa-1,3-dien-1-yl]-9,9'-spirobi[fluorene]-4-amine
SMILESC1=CCC(c2ccc(N(C3=CCCCC3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccc(C5=CC=C(N(c6ccccc6)C6CC=CCC6)CC5)cc43)cc2)C=C1
InChIInChI=1S/C61H54N2/c1-5-18-43(19-6-1)44-32-39-51(40-33-44)63(49-24-11-4-12-25-49)59-31-17-30-57-60(59)54-27-14-16-29-56(54)61(57)55-28-15-13-26-52(55)53-41-36-46(42-58(53)61)45-34-37-50(38-35-45)62(47-20-7-2-8-21-47)48-22-9-3-10-23-48/h1-3,5-9,13-18,20-21,24,26-34,36-37,39-43,48H,4,10-12,19,22-23,25,35,38H2
InChIKeyXLOINQVEQPIPFV-UHFFFAOYSA-N
MW815.12 g/mol
LogP15.90
Rot. Bonds8

About N-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(cyclohexen-1-yl)-2'-[4-(N-cyclohex-3-en-1-ylanilino)cyclohexa-1,3-dien-1-yl]-9,9'-spirobi[fluorene]-4-amine

N-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(cyclohexen-1-yl)-2'-[4-(N-cyclohex-3-en-1-ylanilino)cyclohexa-1,3-dien-1-yl]-9,9'-spirobi[fluorene]-4-amine (PubChem CID 135217918) has the molecular formula C61H54N2 and a molecular weight of 815.12 g/mol. Its IUPAC name is N-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(cyclohexen-1-yl)-2'-[4-(N-cyclohex-3-en-1-ylanilino)cyclohexa-1,3-dien-1-yl]-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(cyclohexen-1-yl)-2'-[4-(N-cyclohex-3-en-1-ylanilino)cyclohexa-1,3-dien-1-yl]-9,9'-spirobi[fluorene]-4-amine
PubChem CID135217918
Molecular FormulaC61H54N2
Molecular Weight815.12 g/mol
Exact Mass814.43
IUPAC NameN-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(cyclohexen-1-yl)-2'-[4-(N-cyclohex-3-en-1-ylanilino)cyclohexa-1,3-dien-1-yl]-9,9'-spirobi[fluorene]-4-amine
SMILESC1=CCC(c2ccc(N(C3=CCCCC3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccc(C5=CC=C(N(c6ccccc6)C6CC=CCC6)CC5)cc43)cc2)C=C1
InChIInChI=1S/C61H54N2/c1-5-18-43(19-6-1)44-32-39-51(40-33-44)63(49-24-11-4-12-25-49)59-31-17-30-57-60(59)54-27-14-16-29-56(54)61(57)55-28-15-13-26-52(55)53-41-36-46(42-58(53)61)45-34-37-50(38-35-45)62(47-20-7-2-8-21-47)48-22-9-3-10-23-48/h1-3,5-9,13-18,20-21,24,26-34,36-37,39-43,48H,4,10-12,19,22-23,25,35,38H2
InChIKeyXLOINQVEQPIPFV-UHFFFAOYSA-N
XLogP15.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.12
LogP ≤ 515.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(cyclohexen-1-yl)-2'-[4-(N-cyclohex-3-en-1-ylanilino)cyclohexa-1,3-dien-1-yl]-9,9'-spirobi[fluorene]-4-amine with MolForge

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Related Compounds

2-cyclohexa-1,5-dien-1-yl-N-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)phenyl]-N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]aniline
CID 142480920
7-N'-cyclohex-3-en-1-yl-2-N'-(5,6-dihydronaphthalen-1-yl)-7-N'-naphthalen-1-yl-2-N'-phenyl-9,9'-spirobi[fluorene]-2',7'-diamine
CID 155419612
2'-[4-(N-phenylanilino)phenyl]-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 140915456
N-(4-cyclohexa-2,4-dien-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 90087282
4-N'-cyclohexa-1,5-dien-1-yl-2-N-phenyl-4-N'-(6-phenylcyclohexa-2,4-dien-1-yl)-2-N-(4-phenylphenyl)spiro[7,8-dihydrofluorene-9,9'-fluorene]-2,4'-diamine
CID 135218208
N-[4-[4-[cyclohexa-2,4-dien-1-yl(1,2,5,6-tetrahydronaphthalen-1-yl)amino]phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 129181008
N-[4-[4-(cyclohexen-1-yl)phenyl]phenyl]-10-phenyl-N-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]-6,12-dihydroindeno[1,2-b]fluoren-4-amine
CID 170370668
2-N'-phenyl-4-N-(3-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915431
2-N'-phenyl-2-N'-(3-phenylphenyl)-4-N,4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915444
4-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118296562
N-(9,9-dimethylfluoren-4-yl)-2'-(3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258937
4-cyclohexa-2,4-dien-1-yl-2-phenyl-6-(2-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylphenyl)pyridine
CID 153357773

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(cyclohexen-1-yl)-2'-[4-(N-cyclohex-3-en-1-ylanilino)cyclohexa-1,3-dien-1-yl]-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(cyclohexen-1-yl)-2'-[4-(N-cyclohex-3-en-1-ylanilino)cyclohexa-1,3-dien-1-yl]-9,9'-spirobi[fluorene]-4-amine (CID 135217918) is N-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(cyclohexen-1-yl)-2'-[4-(N-cyclohex-3-en-1-ylanilino)cyclohexa-1,3-dien-1-yl]-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(cyclohexen-1-yl)-2'-[4-(N-cyclohex-3-en-1-ylanilino)cyclohexa-1,3-dien-1-yl]-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(cyclohexen-1-yl)-2'-[4-(N-cyclohex-3-en-1-ylanilino)cyclohexa-1,3-dien-1-yl]-9,9'-spirobi[fluorene]-4-amine is C1=CCC(c2ccc(N(C3=CCCCC3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccc(C5=CC=C(N(c6ccccc6)C6CC=CCC6)CC5)cc43)cc2)C=C1.
What is the InChIKey of N-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(cyclohexen-1-yl)-2'-[4-(N-cyclohex-3-en-1-ylanilino)cyclohexa-1,3-dien-1-yl]-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is XLOINQVEQPIPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H54N2/c1-5-18-43(19-6-1)44-32-39-51(40-33-44)63(49-24-11-4-12-25-49)59-31-17-30-57-60(59)54-27-14-16-29-56(54)61(57)55-28-15-13-26-52(55)53-41-36-46(42-58(53)61)45-34-37-50(38-35-45)62(47-20-7-2-8-21-47)48-22-9-3-10-23-48/h1-3,5-9,13-18,20-21,24,26-34,36-37,39-43,48H,4,10-12,19,22-23,25,35,38H2.
What are the key properties of N-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(cyclohexen-1-yl)-2'-[4-(N-cyclohex-3-en-1-ylanilino)cyclohexa-1,3-dien-1-yl]-9,9'-spirobi[fluorene]-4-amine?
N-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(cyclohexen-1-yl)-2'-[4-(N-cyclohex-3-en-1-ylanilino)cyclohexa-1,3-dien-1-yl]-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 815.12 g/mol, XLogP of 15.90, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(cyclohexen-1-yl)-2'-[4-(N-cyclohex-3-en-1-ylanilino)cyclohexa-1,3-dien-1-yl]-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 135217918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).