N-[amino(phenyl)methylidene]-3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N'-methylbenzenecarboximidamide

C36H30N4 — CID 171812843

IUPACN-[amino(phenyl)methylidene]-3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N'-methylbenzenecarboximidamide
SMILESC/N=C(/N=C(\N)c1ccccc1)c1cccc(-n2c3ccccc3c3cc4c(cc32)C(C)(C)c2ccccc2-4)c1
InChIInChI=1S/C36H30N4/c1-36(2)30-18-9-7-16-26(30)28-21-29-27-17-8-10-19-32(27)40(33(29)22-31(28)36)25-15-11-14-24(20-25)35(38-3)39-34(37)23-12-5-4-6-13-23/h4-22H,1-3H3,(H2,37,38,39)
InChIKeyFAVXOIYEXUZIKQ-UHFFFAOYSA-N
MW518.66 g/mol
LogP7.87
Rot. Bonds3

About N-[amino(phenyl)methylidene]-3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N'-methylbenzenecarboximidamide

N-[amino(phenyl)methylidene]-3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N'-methylbenzenecarboximidamide (PubChem CID 171812843) has the molecular formula C36H30N4 and a molecular weight of 518.66 g/mol. Its IUPAC name is N-[amino(phenyl)methylidene]-3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN-[amino(phenyl)methylidene]-3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N'-methylbenzenecarboximidamide
PubChem CID171812843
Molecular FormulaC36H30N4
Molecular Weight518.66 g/mol
Exact Mass518.25
IUPAC NameN-[amino(phenyl)methylidene]-3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N'-methylbenzenecarboximidamide
SMILESC/N=C(/N=C(\N)c1ccccc1)c1cccc(-n2c3ccccc3c3cc4c(cc32)C(C)(C)c2ccccc2-4)c1
InChIInChI=1S/C36H30N4/c1-36(2)30-18-9-7-16-26(30)28-21-29-27-17-8-10-19-32(27)40(33(29)22-31(28)36)25-15-11-14-24(20-25)35(38-3)39-34(37)23-12-5-4-6-13-23/h4-22H,1-3H3,(H2,37,38,39)
InChIKeyFAVXOIYEXUZIKQ-UHFFFAOYSA-N
XLogP7.87
TPSA55.67 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 57.87
H-Bond Donors ≤ 51
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

7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 66805252
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
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'-[N-[[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide
CID 142519466
N'-[N-[[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]methyl]-C-phenylcarbonimidoyl]phenanthrene-2-carboximidamide
CID 139342105
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
5-[3-(9,9-dimethyl-5-phenylfluoren-4-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 138714663
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
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-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014140

Frequently Asked Questions

What is the IUPAC name of N-[amino(phenyl)methylidene]-3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N'-methylbenzenecarboximidamide?
The IUPAC name of N-[amino(phenyl)methylidene]-3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N'-methylbenzenecarboximidamide (CID 171812843) is N-[amino(phenyl)methylidene]-3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N'-methylbenzenecarboximidamide.
What is the SMILES notation for N-[amino(phenyl)methylidene]-3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N'-methylbenzenecarboximidamide?
The canonical SMILES for N-[amino(phenyl)methylidene]-3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N'-methylbenzenecarboximidamide is C/N=C(/N=C(\N)c1ccccc1)c1cccc(-n2c3ccccc3c3cc4c(cc32)C(C)(C)c2ccccc2-4)c1.
What is the InChIKey of N-[amino(phenyl)methylidene]-3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N'-methylbenzenecarboximidamide?
The InChIKey is FAVXOIYEXUZIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N4/c1-36(2)30-18-9-7-16-26(30)28-21-29-27-17-8-10-19-32(27)40(33(29)22-31(28)36)25-15-11-14-24(20-25)35(38-3)39-34(37)23-12-5-4-6-13-23/h4-22H,1-3H3,(H2,37,38,39).
What are the key properties of N-[amino(phenyl)methylidene]-3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N'-methylbenzenecarboximidamide?
N-[amino(phenyl)methylidene]-3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N'-methylbenzenecarboximidamide has a molecular weight of 518.66 g/mol, XLogP of 7.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(phenyl)methylidene]-3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 171812843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).