N'-[4-([1]benzofuro[3,2-c]carbazol-5-yl)benzenecarboximidoyl]-N-(dibenzothiophen-3-ylmethylidene)-3-phenylbenzenecarboximidamide

C51H32N4OS — CID 176767129

IUPACN'-[4-([1]benzofuro[3,2-c]carbazol-5-yl)benzenecarboximidoyl]-N-(dibenzothiophen-3-ylmethylidene)-3-phenylbenzenecarboximidamide
SMILES[H]/N=C(\N=C(/N=C/c1ccc2c(c1)sc1ccccc12)c1cccc(-c2ccccc2)c1)c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1
InChIInChI=1S/C51H32N4OS/c52-50(34-22-24-37(25-23-34)55-43-18-7-4-17-42(43)48-44(55)28-27-41-38-15-5-8-19-45(38)56-49(41)48)54-51(36-14-10-13-35(30-36)33-11-2-1-3-12-33)53-31-32-21-26-40-39-16-6-9-20-46(39)57-47(40)29-32/h1-31,52H/b52-50-,53-31+,54-51-
InChIKeyICQNVTNRWTXAQK-UUTJPTDUSA-N
MW748.91 g/mol
LogP13.61
Rot. Bonds5

About N'-[4-([1]benzofuro[3,2-c]carbazol-5-yl)benzenecarboximidoyl]-N-(dibenzothiophen-3-ylmethylidene)-3-phenylbenzenecarboximidamide

N'-[4-([1]benzofuro[3,2-c]carbazol-5-yl)benzenecarboximidoyl]-N-(dibenzothiophen-3-ylmethylidene)-3-phenylbenzenecarboximidamide (PubChem CID 176767129) has the molecular formula C51H32N4OS and a molecular weight of 748.91 g/mol. Its IUPAC name is N'-[4-([1]benzofuro[3,2-c]carbazol-5-yl)benzenecarboximidoyl]-N-(dibenzothiophen-3-ylmethylidene)-3-phenylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-[4-([1]benzofuro[3,2-c]carbazol-5-yl)benzenecarboximidoyl]-N-(dibenzothiophen-3-ylmethylidene)-3-phenylbenzenecarboximidamide
PubChem CID176767129
Molecular FormulaC51H32N4OS
Molecular Weight748.91 g/mol
Exact Mass748.23
IUPAC NameN'-[4-([1]benzofuro[3,2-c]carbazol-5-yl)benzenecarboximidoyl]-N-(dibenzothiophen-3-ylmethylidene)-3-phenylbenzenecarboximidamide
SMILES[H]/N=C(\N=C(/N=C/c1ccc2c(c1)sc1ccccc12)c1cccc(-c2ccccc2)c1)c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1
InChIInChI=1S/C51H32N4OS/c52-50(34-22-24-37(25-23-34)55-43-18-7-4-17-42(43)48-44(55)28-27-41-38-15-5-8-19-45(38)56-49(41)48)54-51(36-14-10-13-35(30-36)33-11-2-1-3-12-33)53-31-32-21-26-40-39-16-6-9-20-46(39)57-47(40)29-32/h1-31,52H/b52-50-,53-31+,54-51-
InChIKeyICQNVTNRWTXAQK-UUTJPTDUSA-N
XLogP13.61
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.91
LogP ≤ 513.61
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'}

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Related Compounds

N'-(benzenecarboximidoyl)-N-[(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)methylidene]dibenzothiophene-3-carboximidamide
CID 176853606
N-[(3-dibenzothiophen-1-ylphenyl)-[(6-phenyldibenzofuran-3-yl)methylideneamino]methylidene]dibenzofuran-3-carboximidamide
CID 159572337
N-[(benzylideneamino)-phenylmethylidene]-5-phenyl-2-(14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)benzenecarboximidamide
CID 171771566
5-dibenzofuran-4-yl-2-phenyl-[1]benzofuro[3,2-c]carbazole;5-dibenzothiophen-4-yl-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(6,9-diphenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole;3-phenyl-5-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 158788066
10-[4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 163708146
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole
CID 159781262
5-(4-dibenzofuran-4-ylphenyl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;3-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 159515126
10-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;10-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 163782384
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
6-(3-dibenzothiophen-2-ylphenyl)-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;ethane
CID 144604352
6-dibenzofuran-4-yl-2,3-diphenylfuro[3,2-c]carbazole;6-dibenzothiophen-4-yl-2,3-diphenylfuro[3,2-c]carbazole;2,6-diphenyl-[1,3]oxazolo[4,5-c]carbazole
CID 162037448
N,3-bis(3-dibenzothiophen-3-ylcarbazol-9-yl)-N'-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)benzenecarboximidoyl]benzenecarboximidamide
CID 126652713

Frequently Asked Questions

What is the IUPAC name of N'-[4-([1]benzofuro[3,2-c]carbazol-5-yl)benzenecarboximidoyl]-N-(dibenzothiophen-3-ylmethylidene)-3-phenylbenzenecarboximidamide?
The IUPAC name of N'-[4-([1]benzofuro[3,2-c]carbazol-5-yl)benzenecarboximidoyl]-N-(dibenzothiophen-3-ylmethylidene)-3-phenylbenzenecarboximidamide (CID 176767129) is N'-[4-([1]benzofuro[3,2-c]carbazol-5-yl)benzenecarboximidoyl]-N-(dibenzothiophen-3-ylmethylidene)-3-phenylbenzenecarboximidamide.
What is the SMILES notation for N'-[4-([1]benzofuro[3,2-c]carbazol-5-yl)benzenecarboximidoyl]-N-(dibenzothiophen-3-ylmethylidene)-3-phenylbenzenecarboximidamide?
The canonical SMILES for N'-[4-([1]benzofuro[3,2-c]carbazol-5-yl)benzenecarboximidoyl]-N-(dibenzothiophen-3-ylmethylidene)-3-phenylbenzenecarboximidamide is [H]/N=C(\N=C(/N=C/c1ccc2c(c1)sc1ccccc12)c1cccc(-c2ccccc2)c1)c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1.
What is the InChIKey of N'-[4-([1]benzofuro[3,2-c]carbazol-5-yl)benzenecarboximidoyl]-N-(dibenzothiophen-3-ylmethylidene)-3-phenylbenzenecarboximidamide?
The InChIKey is ICQNVTNRWTXAQK-UUTJPTDUSA-N. The full InChI is InChI=1S/C51H32N4OS/c52-50(34-22-24-37(25-23-34)55-43-18-7-4-17-42(43)48-44(55)28-27-41-38-15-5-8-19-45(38)56-49(41)48)54-51(36-14-10-13-35(30-36)33-11-2-1-3-12-33)53-31-32-21-26-40-39-16-6-9-20-46(39)57-47(40)29-32/h1-31,52H/b52-50-,53-31+,54-51-.
What are the key properties of N'-[4-([1]benzofuro[3,2-c]carbazol-5-yl)benzenecarboximidoyl]-N-(dibenzothiophen-3-ylmethylidene)-3-phenylbenzenecarboximidamide?
N'-[4-([1]benzofuro[3,2-c]carbazol-5-yl)benzenecarboximidoyl]-N-(dibenzothiophen-3-ylmethylidene)-3-phenylbenzenecarboximidamide has a molecular weight of 748.91 g/mol, XLogP of 13.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-([1]benzofuro[3,2-c]carbazol-5-yl)benzenecarboximidoyl]-N-(dibenzothiophen-3-ylmethylidene)-3-phenylbenzenecarboximidamide is sourced from PubChem (CID 176767129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).