(1Z,3Z,5E)-N'-[4-(10-cyclohexa-2,4-dien-1-ylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]-7-phenylhepta-1,3,5-triene-1,7-diamine;methanamine

C55H48N4 — CID 142293276

IUPAC(1Z,3Z,5E)-N'-[4-(10-cyclohexa-2,4-dien-1-ylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]-7-phenylhepta-1,3,5-triene-1,7-diamine;methanamine
SMILESCN.N/C=C\C=C/C=C/C(Nc1ccc(-c2ccc3c(c2)C2(c4ccccc4N(C4C=CC=CC4)c4ccccc42)c2c-3ccc3ccccc23)cc1)c1ccccc1
InChIInChI=1S/C54H43N3.CH5N/c55-36-16-2-1-9-25-50(40-18-5-3-6-19-40)56-42-32-28-38(29-33-42)41-31-34-45-46-35-30-39-17-10-11-22-44(39)53(46)54(49(45)37-41)47-23-12-14-26-51(47)57(43-20-7-4-8-21-43)52-27-15-13-24-48(52)54;1-2/h1-20,22-37,43,50,56H,21,55H2;2H2,1H3/b2-1-,25-9+,36-16-;
InChIKeyRWZSBMDVQDYWIU-PFUFGIJCSA-N
MW765.02 g/mol
LogP12.52
Rot. Bonds8

About (1Z,3Z,5E)-N'-[4-(10-cyclohexa-2,4-dien-1-ylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]-7-phenylhepta-1,3,5-triene-1,7-diamine;methanamine

(1Z,3Z,5E)-N'-[4-(10-cyclohexa-2,4-dien-1-ylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]-7-phenylhepta-1,3,5-triene-1,7-diamine;methanamine (PubChem CID 142293276) has the molecular formula C55H48N4 and a molecular weight of 765.02 g/mol. Its IUPAC name is (1Z,3Z,5E)-N'-[4-(10-cyclohexa-2,4-dien-1-ylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]-7-phenylhepta-1,3,5-triene-1,7-diamine;methanamine.

Molecular Properties

Compound Name(1Z,3Z,5E)-N'-[4-(10-cyclohexa-2,4-dien-1-ylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]-7-phenylhepta-1,3,5-triene-1,7-diamine;methanamine
PubChem CID142293276
Molecular FormulaC55H48N4
Molecular Weight765.02 g/mol
Exact Mass764.39
IUPAC Name(1Z,3Z,5E)-N'-[4-(10-cyclohexa-2,4-dien-1-ylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]-7-phenylhepta-1,3,5-triene-1,7-diamine;methanamine
SMILESCN.N/C=C\C=C/C=C/C(Nc1ccc(-c2ccc3c(c2)C2(c4ccccc4N(C4C=CC=CC4)c4ccccc42)c2c-3ccc3ccccc23)cc1)c1ccccc1
InChIInChI=1S/C54H43N3.CH5N/c55-36-16-2-1-9-25-50(40-18-5-3-6-19-40)56-42-32-28-38(29-33-42)41-31-34-45-46-35-30-39-17-10-11-22-44(39)53(46)54(49(45)37-41)47-23-12-14-26-51(47)57(43-20-7-4-8-21-43)52-27-15-13-24-48(52)54;1-2/h1-20,22-37,43,50,56H,21,55H2;2H2,1H3/b2-1-,25-9+,36-16-;
InChIKeyRWZSBMDVQDYWIU-PFUFGIJCSA-N
XLogP12.52
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.02
LogP ≤ 512.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1Z,3Z,5E)-N'-[4-(10-cyclohexa-2,4-dien-1-ylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]-7-phenylhepta-1,3,5-triene-1,7-diamine;methanamine with MolForge

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Related Compounds

2'-(4-bromophenyl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 134216060
4,6-diphenyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylpyrimidine
CID 155186274
7'-(4-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 145353249
2-N-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)cyclohepta-1,3,5-triene-1,2-diamine
CID 145353504
[10'-cyclohexa-2,4-dien-1-yl-6-(2-phenylphenyl)spiro[7,8-dihydrofluorene-9,9'-acridine]-4-yl]methanamine
CID 142481543
3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 166034437
aniline;propane;4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylaniline
CID 145353363
12-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylphenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 177126941
11,11-dimethyl-9-naphthalen-2-ylbenzo[a]fluorene
CID 144938907
11-[7-[(E)-2-[7-(10-cyclohexa-2,4-dien-1-ylphenazin-5-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenanthren-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 89071630
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
butane;(2Z,4Z)-3-N-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)hepta-2,4,6-triene-2,3-diamine
CID 145353676

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,5E)-N'-[4-(10-cyclohexa-2,4-dien-1-ylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]-7-phenylhepta-1,3,5-triene-1,7-diamine;methanamine?
The IUPAC name of (1Z,3Z,5E)-N'-[4-(10-cyclohexa-2,4-dien-1-ylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]-7-phenylhepta-1,3,5-triene-1,7-diamine;methanamine (CID 142293276) is (1Z,3Z,5E)-N'-[4-(10-cyclohexa-2,4-dien-1-ylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]-7-phenylhepta-1,3,5-triene-1,7-diamine;methanamine.
What is the SMILES notation for (1Z,3Z,5E)-N'-[4-(10-cyclohexa-2,4-dien-1-ylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]-7-phenylhepta-1,3,5-triene-1,7-diamine;methanamine?
The canonical SMILES for (1Z,3Z,5E)-N'-[4-(10-cyclohexa-2,4-dien-1-ylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]-7-phenylhepta-1,3,5-triene-1,7-diamine;methanamine is CN.N/C=C\C=C/C=C/C(Nc1ccc(-c2ccc3c(c2)C2(c4ccccc4N(C4C=CC=CC4)c4ccccc42)c2c-3ccc3ccccc23)cc1)c1ccccc1.
What is the InChIKey of (1Z,3Z,5E)-N'-[4-(10-cyclohexa-2,4-dien-1-ylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]-7-phenylhepta-1,3,5-triene-1,7-diamine;methanamine?
The InChIKey is RWZSBMDVQDYWIU-PFUFGIJCSA-N. The full InChI is InChI=1S/C54H43N3.CH5N/c55-36-16-2-1-9-25-50(40-18-5-3-6-19-40)56-42-32-28-38(29-33-42)41-31-34-45-46-35-30-39-17-10-11-22-44(39)53(46)54(49(45)37-41)47-23-12-14-26-51(47)57(43-20-7-4-8-21-43)52-27-15-13-24-48(52)54;1-2/h1-20,22-37,43,50,56H,21,55H2;2H2,1H3/b2-1-,25-9+,36-16-;.
What are the key properties of (1Z,3Z,5E)-N'-[4-(10-cyclohexa-2,4-dien-1-ylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]-7-phenylhepta-1,3,5-triene-1,7-diamine;methanamine?
(1Z,3Z,5E)-N'-[4-(10-cyclohexa-2,4-dien-1-ylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]-7-phenylhepta-1,3,5-triene-1,7-diamine;methanamine has a molecular weight of 765.02 g/mol, XLogP of 12.52, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5E)-N'-[4-(10-cyclohexa-2,4-dien-1-ylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]-7-phenylhepta-1,3,5-triene-1,7-diamine;methanamine is sourced from PubChem (CID 142293276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).