N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzenecarboximidamide

C52H37N5 — CID 170137559

IUPACN'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzenecarboximidamide
SMILESC=N/C(=N\C(=N/Cc1ccccc1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)c1)c1ccccc1
InChIInChI=1S/C52H37N5/c1-53-51(37-18-7-3-8-19-37)55-52(54-35-36-16-5-2-6-17-36)40-20-15-23-42(32-40)57-48-27-14-12-25-44(48)46-33-38(29-31-49(46)57)39-28-30-45-43-24-11-13-26-47(43)56(50(45)34-39)41-21-9-4-10-22-41/h2-34H,1,35H2/b54-52-,55-51-
InChIKeyWYECSDSWPAQPLC-URHOZWSBSA-N
MW731.90 g/mol
LogP12.64
Rot. Bonds7

About N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzenecarboximidamide

N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzenecarboximidamide (PubChem CID 170137559) has the molecular formula C52H37N5 and a molecular weight of 731.90 g/mol. Its IUPAC name is N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzenecarboximidamide
PubChem CID170137559
Molecular FormulaC52H37N5
Molecular Weight731.90 g/mol
Exact Mass731.30
IUPAC NameN'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzenecarboximidamide
SMILESC=N/C(=N\C(=N/Cc1ccccc1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)c1)c1ccccc1
InChIInChI=1S/C52H37N5/c1-53-51(37-18-7-3-8-19-37)55-52(54-35-36-16-5-2-6-17-36)40-20-15-23-42(32-40)57-48-27-14-12-25-44(48)46-33-38(29-31-49(46)57)39-28-30-45-43-24-11-13-26-47(43)56(50(45)34-39)41-21-9-4-10-22-41/h2-34H,1,35H2/b54-52-,55-51-
InChIKeyWYECSDSWPAQPLC-URHOZWSBSA-N
XLogP12.64
TPSA46.94 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.90
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'-benzyl-N-methylidenebenzenecarboximidamide;N-[[3-[9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazol-2-yl]phenyl]methyl]methanimine
CID 145358373
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-8-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-3-carboximidamide
CID 155002394
N'-[N-[[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide
CID 170136856
N'-[N-[[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide
CID 142519466
N-[amino(phenyl)methylidene]-N'-benzyl-3-(2-dibenzofuran-2-ylcarbazol-9-yl)benzenecarboximidamide
CID 170136276
N'-(N-benzyl-C-phenylcarbonimidoyl)-N-methylidene-4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)naphthalene-2-carboximidamide
CID 145404031
N'-(N-benzyl-C-phenylcarbonimidoyl)-N-methylidene-4-[7-(4-phenylcarbazol-9-yl)dibenzofuran-1-yl]benzenecarboximidamide
CID 166988287
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(3-methylphenyl)phenyl]benzenecarboximidamide
CID 142293920
N'-benzyl-N-[1-(3-carbazol-9-ylphenyl)ethylidene]-3-methyl-4-phenylbenzenecarboximidamide
CID 154664219
N-benzylmethanimine;N'-[[3-[4-(2,27-diazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaen-27-yl)phenyl]phenyl]methyl]-N-methylidenebenzenecarboximidamide
CID 144705722
N'-[N-[[3-[11-[3-bis(4-phenoxyphenyl)boranylphenyl]indolo[2,3-a]carbazol-12-yl]phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide
CID 144597072
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzenecarboximidamide?
The IUPAC name of N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzenecarboximidamide (CID 170137559) is N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzenecarboximidamide.
What is the SMILES notation for N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzenecarboximidamide?
The canonical SMILES for N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzenecarboximidamide is C=N/C(=N\C(=N/Cc1ccccc1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)c1)c1ccccc1.
What is the InChIKey of N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzenecarboximidamide?
The InChIKey is WYECSDSWPAQPLC-URHOZWSBSA-N. The full InChI is InChI=1S/C52H37N5/c1-53-51(37-18-7-3-8-19-37)55-52(54-35-36-16-5-2-6-17-36)40-20-15-23-42(32-40)57-48-27-14-12-25-44(48)46-33-38(29-31-49(46)57)39-28-30-45-43-24-11-13-26-47(43)56(50(45)34-39)41-21-9-4-10-22-41/h2-34H,1,35H2/b54-52-,55-51-.
What are the key properties of N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzenecarboximidamide?
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzenecarboximidamide has a molecular weight of 731.90 g/mol, XLogP of 12.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzenecarboximidamide is sourced from PubChem (CID 170137559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).