N-[amino(phenyl)methylidene]-3-[3-(9,9-dimethylfluoren-2-yl)phenyl]benzenecarboximidamide;toluene

C42H37N3 — CID 145110773

IUPACN-[amino(phenyl)methylidene]-3-[3-(9,9-dimethylfluoren-2-yl)phenyl]benzenecarboximidamide;toluene
SMILESCc1ccccc1.[H]/N=C(\N=C(/N)c1ccccc1)c1cccc(-c2cccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)c1
InChIInChI=1S/C35H29N3.C7H8/c1-35(2)31-17-7-6-16-29(31)30-19-18-27(22-32(30)35)25-13-8-12-24(20-25)26-14-9-15-28(21-26)34(37)38-33(36)23-10-4-3-5-11-23;1-7-5-3-2-4-6-7/h3-22H,1-2H3,(H3,36,37,38);2-6H,1H3
InChIKeyYQUCHMWRWKOXIC-UHFFFAOYSA-N
MW583.78 g/mol
LogP10.05
Rot. Bonds4

About N-[amino(phenyl)methylidene]-3-[3-(9,9-dimethylfluoren-2-yl)phenyl]benzenecarboximidamide;toluene

N-[amino(phenyl)methylidene]-3-[3-(9,9-dimethylfluoren-2-yl)phenyl]benzenecarboximidamide;toluene (PubChem CID 145110773) has the molecular formula C42H37N3 and a molecular weight of 583.78 g/mol. Its IUPAC name is N-[amino(phenyl)methylidene]-3-[3-(9,9-dimethylfluoren-2-yl)phenyl]benzenecarboximidamide;toluene.

Molecular Properties

Compound NameN-[amino(phenyl)methylidene]-3-[3-(9,9-dimethylfluoren-2-yl)phenyl]benzenecarboximidamide;toluene
PubChem CID145110773
Molecular FormulaC42H37N3
Molecular Weight583.78 g/mol
Exact Mass583.30
IUPAC NameN-[amino(phenyl)methylidene]-3-[3-(9,9-dimethylfluoren-2-yl)phenyl]benzenecarboximidamide;toluene
SMILESCc1ccccc1.[H]/N=C(\N=C(/N)c1ccccc1)c1cccc(-c2cccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)c1
InChIInChI=1S/C35H29N3.C7H8/c1-35(2)31-17-7-6-16-29(31)30-19-18-27(22-32(30)35)25-13-8-12-24(20-25)26-14-9-15-28(21-26)34(37)38-33(36)23-10-4-3-5-11-23;1-7-5-3-2-4-6-7/h3-22H,1-2H3,(H3,36,37,38);2-6H,1H3
InChIKeyYQUCHMWRWKOXIC-UHFFFAOYSA-N
XLogP10.05
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.78
LogP ≤ 510.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

9,9-dimethyl-2-[3-[3-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]fluorene
CID 142555556
N'-(3,5-diphenylbenzenecarboximidoyl)-9,9'-spirobi[fluorene]-2-carboximidamide
CID 146551315
N-[(E)-3-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-1-(4-naphthalen-2-ylphenyl)prop-2-enylidene]benzenecarboximidamide
CID 176834951
9,9-dimethyl-2-(3-methylphenyl)fluorene;ethane;methane
CID 144583357
9,9-dimethyl-2-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene
CID 153369031
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
(Z)-1-[3-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]phenyl]-N'-methylidene-3-(4-phenylphenyl)prop-2-ene-1,3-diimine;toluene
CID 145452834
N-[(E)-3-[4-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-1-(3,5-diphenylphenyl)prop-2-enylidene]benzenecarboximidamide
CID 176835010
N'-(benzenecarboximidoyl)benzenecarboximidamide;1-bromo-3-methylbenzene
CID 142324241
2-[3-(9,9-dimethylfluoren-2-yl)-5-methylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 145334226

Frequently Asked Questions

What is the IUPAC name of N-[amino(phenyl)methylidene]-3-[3-(9,9-dimethylfluoren-2-yl)phenyl]benzenecarboximidamide;toluene?
The IUPAC name of N-[amino(phenyl)methylidene]-3-[3-(9,9-dimethylfluoren-2-yl)phenyl]benzenecarboximidamide;toluene (CID 145110773) is N-[amino(phenyl)methylidene]-3-[3-(9,9-dimethylfluoren-2-yl)phenyl]benzenecarboximidamide;toluene.
What is the SMILES notation for N-[amino(phenyl)methylidene]-3-[3-(9,9-dimethylfluoren-2-yl)phenyl]benzenecarboximidamide;toluene?
The canonical SMILES for N-[amino(phenyl)methylidene]-3-[3-(9,9-dimethylfluoren-2-yl)phenyl]benzenecarboximidamide;toluene is Cc1ccccc1.[H]/N=C(\N=C(/N)c1ccccc1)c1cccc(-c2cccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)c1.
What is the InChIKey of N-[amino(phenyl)methylidene]-3-[3-(9,9-dimethylfluoren-2-yl)phenyl]benzenecarboximidamide;toluene?
The InChIKey is YQUCHMWRWKOXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29N3.C7H8/c1-35(2)31-17-7-6-16-29(31)30-19-18-27(22-32(30)35)25-13-8-12-24(20-25)26-14-9-15-28(21-26)34(37)38-33(36)23-10-4-3-5-11-23;1-7-5-3-2-4-6-7/h3-22H,1-2H3,(H3,36,37,38);2-6H,1H3.
What are the key properties of N-[amino(phenyl)methylidene]-3-[3-(9,9-dimethylfluoren-2-yl)phenyl]benzenecarboximidamide;toluene?
N-[amino(phenyl)methylidene]-3-[3-(9,9-dimethylfluoren-2-yl)phenyl]benzenecarboximidamide;toluene has a molecular weight of 583.78 g/mol, XLogP of 10.05, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(phenyl)methylidene]-3-[3-(9,9-dimethylfluoren-2-yl)phenyl]benzenecarboximidamide;toluene is sourced from PubChem (CID 145110773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).