N'-[2-[[8-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-6-phenyldibenzofuran-1-yl]methyl]-1-benzofuran-3-yl]-9-phenylcarbazole-2-carboximidamide

C53H39N3O2 — CID 170068094

IUPACN'-[2-[[8-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-6-phenyldibenzofuran-1-yl]methyl]-1-benzofuran-3-yl]-9-phenylcarbazole-2-carboximidamide
SMILESC/C=C\C=C/C=C/c1cc(-c2ccccc2)c2oc3cccc(Cc4oc5ccccc5c4/N=C(\N)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3c2c1
InChIInChI=1S/C53H39N3O2/c1-2-3-4-5-8-18-35-31-43(36-19-9-6-10-20-36)52-44(32-35)50-37(21-17-28-48(50)58-52)34-49-51(42-25-14-16-27-47(42)57-49)55-53(54)38-29-30-41-40-24-13-15-26-45(40)56(46(41)33-38)39-22-11-7-12-23-39/h2-33H,34H2,1H3,(H2,54,55)/b3-2-,5-4-,18-8+
InChIKeyINILCJSKRTXAIA-MIBMPRHWSA-N
MW749.91 g/mol
LogP13.87
Rot. Bonds9

About N'-[2-[[8-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-6-phenyldibenzofuran-1-yl]methyl]-1-benzofuran-3-yl]-9-phenylcarbazole-2-carboximidamide

N'-[2-[[8-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-6-phenyldibenzofuran-1-yl]methyl]-1-benzofuran-3-yl]-9-phenylcarbazole-2-carboximidamide (PubChem CID 170068094) has the molecular formula C53H39N3O2 and a molecular weight of 749.91 g/mol. Its IUPAC name is N'-[2-[[8-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-6-phenyldibenzofuran-1-yl]methyl]-1-benzofuran-3-yl]-9-phenylcarbazole-2-carboximidamide.

Molecular Properties

Compound NameN'-[2-[[8-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-6-phenyldibenzofuran-1-yl]methyl]-1-benzofuran-3-yl]-9-phenylcarbazole-2-carboximidamide
PubChem CID170068094
Molecular FormulaC53H39N3O2
Molecular Weight749.91 g/mol
Exact Mass749.30
IUPAC NameN'-[2-[[8-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-6-phenyldibenzofuran-1-yl]methyl]-1-benzofuran-3-yl]-9-phenylcarbazole-2-carboximidamide
SMILESC/C=C\C=C/C=C/c1cc(-c2ccccc2)c2oc3cccc(Cc4oc5ccccc5c4/N=C(\N)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3c2c1
InChIInChI=1S/C53H39N3O2/c1-2-3-4-5-8-18-35-31-43(36-19-9-6-10-20-36)52-44(32-35)50-37(21-17-28-48(50)58-52)34-49-51(42-25-14-16-27-47(42)57-49)55-53(54)38-29-30-41-40-24-13-15-26-45(40)56(46(41)33-38)39-22-11-7-12-23-39/h2-33H,34H2,1H3,(H2,54,55)/b3-2-,5-4-,18-8+
InChIKeyINILCJSKRTXAIA-MIBMPRHWSA-N
XLogP13.87
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.91
LogP ≤ 513.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N'-[2-[[8-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-6-phenyldibenzofuran-1-yl]methyl]-1-benzofuran-3-yl]-9-phenylcarbazole-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-[(6,8-diphenyldibenzofuran-1-yl)methyl]-1-benzofuran-3-yl]-9-phenylcarbazole-2-carboximidamide
CID 170067451
N-[1-[[4-[3-[(1Z,3Z)-penta-1,3-dienyl]carbazol-9-yl]phenyl]methylsulfanyl]-4-phenyldibenzofuran-2-yl]methanimine
CID 167452965
11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole
CID 126580169
9-(9-methyl-4-phenyldibenzofuran-2-yl)carbazole
CID 167228990
5-[3-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 162362950
3-(9-phenylcarbazol-2-yl)-9-(4-phenyldibenzofuran-1-yl)carbazole
CID 167200371
N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814481
2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 167200305
3-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534453
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
9-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenylcarbazole
CID 170285075
3-[9-[4-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 169060483

Frequently Asked Questions

What is the IUPAC name of N'-[2-[[8-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-6-phenyldibenzofuran-1-yl]methyl]-1-benzofuran-3-yl]-9-phenylcarbazole-2-carboximidamide?
The IUPAC name of N'-[2-[[8-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-6-phenyldibenzofuran-1-yl]methyl]-1-benzofuran-3-yl]-9-phenylcarbazole-2-carboximidamide (CID 170068094) is N'-[2-[[8-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-6-phenyldibenzofuran-1-yl]methyl]-1-benzofuran-3-yl]-9-phenylcarbazole-2-carboximidamide.
What is the SMILES notation for N'-[2-[[8-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-6-phenyldibenzofuran-1-yl]methyl]-1-benzofuran-3-yl]-9-phenylcarbazole-2-carboximidamide?
The canonical SMILES for N'-[2-[[8-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-6-phenyldibenzofuran-1-yl]methyl]-1-benzofuran-3-yl]-9-phenylcarbazole-2-carboximidamide is C/C=C\C=C/C=C/c1cc(-c2ccccc2)c2oc3cccc(Cc4oc5ccccc5c4/N=C(\N)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3c2c1.
What is the InChIKey of N'-[2-[[8-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-6-phenyldibenzofuran-1-yl]methyl]-1-benzofuran-3-yl]-9-phenylcarbazole-2-carboximidamide?
The InChIKey is INILCJSKRTXAIA-MIBMPRHWSA-N. The full InChI is InChI=1S/C53H39N3O2/c1-2-3-4-5-8-18-35-31-43(36-19-9-6-10-20-36)52-44(32-35)50-37(21-17-28-48(50)58-52)34-49-51(42-25-14-16-27-47(42)57-49)55-53(54)38-29-30-41-40-24-13-15-26-45(40)56(46(41)33-38)39-22-11-7-12-23-39/h2-33H,34H2,1H3,(H2,54,55)/b3-2-,5-4-,18-8+.
What are the key properties of N'-[2-[[8-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-6-phenyldibenzofuran-1-yl]methyl]-1-benzofuran-3-yl]-9-phenylcarbazole-2-carboximidamide?
N'-[2-[[8-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-6-phenyldibenzofuran-1-yl]methyl]-1-benzofuran-3-yl]-9-phenylcarbazole-2-carboximidamide has a molecular weight of 749.91 g/mol, XLogP of 13.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[[8-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-6-phenyldibenzofuran-1-yl]methyl]-1-benzofuran-3-yl]-9-phenylcarbazole-2-carboximidamide is sourced from PubChem (CID 170068094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).