N'-[N-[[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide

C43H34N4 — CID 142519466

IUPACN'-[N-[[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide
SMILESC=N/C(=N\C(=N/Cc1cccc(-n2c3ccccc3c3cc4c(cc32)C(C)(C)c2ccccc2-4)c1)c1ccccc1)c1ccccc1
InChIInChI=1S/C43H34N4/c1-43(2)37-23-12-10-21-33(37)35-26-36-34-22-11-13-24-39(34)47(40(36)27-38(35)43)32-20-14-15-29(25-32)28-45-42(31-18-8-5-9-19-31)46-41(44-3)30-16-6-4-7-17-30/h4-27H,3,28H2,1-2H3/b45-42-,46-41-
InChIKeyCLAYXVCNSLHSNQ-GTASVPGUSA-N
MW606.77 g/mol
LogP10.18
Rot. Bonds5

About N'-[N-[[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide

N'-[N-[[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide (PubChem CID 142519466) has the molecular formula C43H34N4 and a molecular weight of 606.77 g/mol. Its IUPAC name is N'-[N-[[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide.

Molecular Properties

Compound NameN'-[N-[[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide
PubChem CID142519466
Molecular FormulaC43H34N4
Molecular Weight606.77 g/mol
Exact Mass606.28
IUPAC NameN'-[N-[[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide
SMILESC=N/C(=N\C(=N/Cc1cccc(-n2c3ccccc3c3cc4c(cc32)C(C)(C)c2ccccc2-4)c1)c1ccccc1)c1ccccc1
InChIInChI=1S/C43H34N4/c1-43(2)37-23-12-10-21-33(37)35-26-36-34-22-11-13-24-39(34)47(40(36)27-38(35)43)32-20-14-15-29(25-32)28-45-42(31-18-8-5-9-19-31)46-41(44-3)30-16-6-4-7-17-30/h4-27H,3,28H2,1-2H3/b45-42-,46-41-
InChIKeyCLAYXVCNSLHSNQ-GTASVPGUSA-N
XLogP10.18
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.77
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(methylideneamino)-phenylmethylidene]-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzenecarboximidamide
CID 170137559
N'-[N-[[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]methyl]-C-phenylcarbonimidoyl]phenanthrene-2-carboximidamide
CID 139342105
N-[amino(phenyl)methylidene]-3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N'-methylbenzenecarboximidamide
CID 171812843
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 66805252
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
N'-benzyl-3-(3-dibenzofuran-1-ylcarbazol-9-yl)-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide
CID 170130884
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
5-[3-(9-benzyl-9H-fluoren-3-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 123174103
5-[3-(9,9-dimethyl-5-phenylfluoren-4-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 138714663
7,7-dimethyl-5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole;ethane
CID 142377951
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104

Frequently Asked Questions

What is the IUPAC name of N'-[N-[[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide?
The IUPAC name of N'-[N-[[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide (CID 142519466) is N'-[N-[[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide.
What is the SMILES notation for N'-[N-[[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide?
The canonical SMILES for N'-[N-[[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide is C=N/C(=N\C(=N/Cc1cccc(-n2c3ccccc3c3cc4c(cc32)C(C)(C)c2ccccc2-4)c1)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[N-[[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide?
The InChIKey is CLAYXVCNSLHSNQ-GTASVPGUSA-N. The full InChI is InChI=1S/C43H34N4/c1-43(2)37-23-12-10-21-33(37)35-26-36-34-22-11-13-24-39(34)47(40(36)27-38(35)43)32-20-14-15-29(25-32)28-45-42(31-18-8-5-9-19-31)46-41(44-3)30-16-6-4-7-17-30/h4-27H,3,28H2,1-2H3/b45-42-,46-41-.
What are the key properties of N'-[N-[[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide?
N'-[N-[[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide has a molecular weight of 606.77 g/mol, XLogP of 10.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N-[[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide is sourced from PubChem (CID 142519466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).