N'-(N-benzyl-C-phenylcarbonimidoyl)-8-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-phenylanilino)phenyl]-N-methylidenedibenzofuran-1-carboximidamide

C64H44N4O2 — CID 142427293

IUPACN'-(N-benzyl-C-phenylcarbonimidoyl)-8-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-phenylanilino)phenyl]-N-methylidenedibenzofuran-1-carboximidamide
SMILESC=N/C(=N/C(=N/Cc1ccccc1)c1ccccc1)c1cccc2oc3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cc3c12
InChIInChI=1S/C64H44N4O2/c1-65-64(67-63(48-19-9-4-10-20-48)66-42-43-15-5-2-6-16-43)56-24-14-26-60-61(56)57-41-49(33-40-59(57)69-60)46-29-36-51(37-30-46)68(50-34-27-45(28-35-50)44-17-7-3-8-18-44)52-38-31-47(32-39-52)53-22-13-23-55-54-21-11-12-25-58(54)70-62(53)55/h2-41H,1,42H2/b66-63+,67-64+
InChIKeyNIOJOCQMOWEEJT-UCIIFPNXSA-N
MW901.08 g/mol
LogP17.05
Rot. Bonds10

About N'-(N-benzyl-C-phenylcarbonimidoyl)-8-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-phenylanilino)phenyl]-N-methylidenedibenzofuran-1-carboximidamide

N'-(N-benzyl-C-phenylcarbonimidoyl)-8-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-phenylanilino)phenyl]-N-methylidenedibenzofuran-1-carboximidamide (PubChem CID 142427293) has the molecular formula C64H44N4O2 and a molecular weight of 901.08 g/mol. Its IUPAC name is N'-(N-benzyl-C-phenylcarbonimidoyl)-8-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-phenylanilino)phenyl]-N-methylidenedibenzofuran-1-carboximidamide.

Molecular Properties

Compound NameN'-(N-benzyl-C-phenylcarbonimidoyl)-8-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-phenylanilino)phenyl]-N-methylidenedibenzofuran-1-carboximidamide
PubChem CID142427293
Molecular FormulaC64H44N4O2
Molecular Weight901.08 g/mol
Exact Mass900.35
IUPAC NameN'-(N-benzyl-C-phenylcarbonimidoyl)-8-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-phenylanilino)phenyl]-N-methylidenedibenzofuran-1-carboximidamide
SMILESC=N/C(=N/C(=N/Cc1ccccc1)c1ccccc1)c1cccc2oc3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cc3c12
InChIInChI=1S/C64H44N4O2/c1-65-64(67-63(48-19-9-4-10-20-48)66-42-43-15-5-2-6-16-43)56-24-14-26-60-61(56)57-41-49(33-40-59(57)69-60)46-29-36-51(37-30-46)68(50-34-27-45(28-35-50)44-17-7-3-8-18-44)52-38-31-47(32-39-52)53-22-13-23-55-54-21-11-12-25-58(54)70-62(53)55/h2-41H,1,42H2/b66-63+,67-64+
InChIKeyNIOJOCQMOWEEJT-UCIIFPNXSA-N
XLogP17.05
TPSA66.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.08
LogP ≤ 517.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(N-benzyl-C-phenylcarbonimidoyl)-N-methylidene-8-phenanthren-2-yldibenzofuran-1-carboximidamide
CID 170423152
N-methylidene-N'-[C-phenyl-N-[[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-4-yl]methyl]carbonimidoyl]benzenecarboximidamide
CID 144781998
N'-(N-benzyl-C-phenylcarbonimidoyl)-3-dibenzofuran-3-yl-N-methylidenedibenzofuran-1-carboximidamide
CID 170423493
4-N-(4-dibenzofuran-2-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58510699
N'-(N-benzyl-C-naphthalen-2-ylcarbonimidoyl)-N-methylidene-4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-carboximidamide
CID 170423096
N'-benzyl-4-dibenzofuran-3-yl-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide
CID 146395700
N'-(N-benzyl-C-dibenzofuran-3-ylcarbonimidoyl)-N-methylidene-6-phenanthren-9-yldibenzofuran-1-carboximidamide
CID 170423774
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(3-phenylphenyl)aniline;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)aniline
CID 157477199
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 168805047
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-phenylaniline
CID 158645308
N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 161468375
N'-(N-benzyl-C-phenylcarbonimidoyl)-6-[3-(1,2-dihydropyridin-4-yl)phenyl]-N-methylidene-8-(3-pyridin-4-ylphenyl)dibenzofuran-1-carboximidamide
CID 142527174

Frequently Asked Questions

What is the IUPAC name of N'-(N-benzyl-C-phenylcarbonimidoyl)-8-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-phenylanilino)phenyl]-N-methylidenedibenzofuran-1-carboximidamide?
The IUPAC name of N'-(N-benzyl-C-phenylcarbonimidoyl)-8-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-phenylanilino)phenyl]-N-methylidenedibenzofuran-1-carboximidamide (CID 142427293) is N'-(N-benzyl-C-phenylcarbonimidoyl)-8-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-phenylanilino)phenyl]-N-methylidenedibenzofuran-1-carboximidamide.
What is the SMILES notation for N'-(N-benzyl-C-phenylcarbonimidoyl)-8-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-phenylanilino)phenyl]-N-methylidenedibenzofuran-1-carboximidamide?
The canonical SMILES for N'-(N-benzyl-C-phenylcarbonimidoyl)-8-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-phenylanilino)phenyl]-N-methylidenedibenzofuran-1-carboximidamide is C=N/C(=N/C(=N/Cc1ccccc1)c1ccccc1)c1cccc2oc3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cc3c12.
What is the InChIKey of N'-(N-benzyl-C-phenylcarbonimidoyl)-8-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-phenylanilino)phenyl]-N-methylidenedibenzofuran-1-carboximidamide?
The InChIKey is NIOJOCQMOWEEJT-UCIIFPNXSA-N. The full InChI is InChI=1S/C64H44N4O2/c1-65-64(67-63(48-19-9-4-10-20-48)66-42-43-15-5-2-6-16-43)56-24-14-26-60-61(56)57-41-49(33-40-59(57)69-60)46-29-36-51(37-30-46)68(50-34-27-45(28-35-50)44-17-7-3-8-18-44)52-38-31-47(32-39-52)53-22-13-23-55-54-21-11-12-25-58(54)70-62(53)55/h2-41H,1,42H2/b66-63+,67-64+.
What are the key properties of N'-(N-benzyl-C-phenylcarbonimidoyl)-8-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-phenylanilino)phenyl]-N-methylidenedibenzofuran-1-carboximidamide?
N'-(N-benzyl-C-phenylcarbonimidoyl)-8-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-phenylanilino)phenyl]-N-methylidenedibenzofuran-1-carboximidamide has a molecular weight of 901.08 g/mol, XLogP of 17.05, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(N-benzyl-C-phenylcarbonimidoyl)-8-[4-(N-(4-dibenzofuran-4-ylphenyl)-4-phenylanilino)phenyl]-N-methylidenedibenzofuran-1-carboximidamide is sourced from PubChem (CID 142427293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).