7-[[2-(3-carbamimidoylphenoxy)carbazol-9-yl]methyl]naphthalene-2-carboximidamide

C31H25N5O — CID 10028252

IUPAC7-[[2-(3-carbamimidoylphenoxy)carbazol-9-yl]methyl]naphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(Oc2ccc3c4ccccc4n(Cc4ccc5ccc(/C(N)=N/[H])cc5c4)c3c2)c1
InChIInChI=1S/C31H25N5O/c32-30(33)21-4-3-5-24(16-21)37-25-12-13-27-26-6-1-2-7-28(26)36(29(27)17-25)18-19-8-9-20-10-11-22(31(34)35)15-23(20)14-19/h1-17H,18H2,(H3,32,33)(H3,34,35)
InChIKeyCCLMTIURLCLNKY-UHFFFAOYSA-N
MW483.58 g/mol
LogP6.36
Rot. Bonds6

About 7-[[2-(3-carbamimidoylphenoxy)carbazol-9-yl]methyl]naphthalene-2-carboximidamide

7-[[2-(3-carbamimidoylphenoxy)carbazol-9-yl]methyl]naphthalene-2-carboximidamide (PubChem CID 10028252) has the molecular formula C31H25N5O and a molecular weight of 483.58 g/mol. Its IUPAC name is 7-[[2-(3-carbamimidoylphenoxy)carbazol-9-yl]methyl]naphthalene-2-carboximidamide.

Molecular Properties

Compound Name7-[[2-(3-carbamimidoylphenoxy)carbazol-9-yl]methyl]naphthalene-2-carboximidamide
PubChem CID10028252
Molecular FormulaC31H25N5O
Molecular Weight483.58 g/mol
Exact Mass483.21
IUPAC Name7-[[2-(3-carbamimidoylphenoxy)carbazol-9-yl]methyl]naphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(Oc2ccc3c4ccccc4n(Cc4ccc5ccc(/C(N)=N/[H])cc5c4)c3c2)c1
InChIInChI=1S/C31H25N5O/c32-30(33)21-4-3-5-24(16-21)37-25-12-13-27-26-6-1-2-7-28(26)36(29(27)17-25)18-19-8-9-20-10-11-22(31(34)35)15-23(20)14-19/h1-17H,18H2,(H3,32,33)(H3,34,35)
InChIKeyCCLMTIURLCLNKY-UHFFFAOYSA-N
XLogP6.36
TPSA113.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.58
LogP ≤ 56.36
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(3-carbamimidoylphenoxy)carbazol-9-yl]methyl]naphthalene-2-carboximidamide?
The IUPAC name of 7-[[2-(3-carbamimidoylphenoxy)carbazol-9-yl]methyl]naphthalene-2-carboximidamide (CID 10028252) is 7-[[2-(3-carbamimidoylphenoxy)carbazol-9-yl]methyl]naphthalene-2-carboximidamide.
What is the SMILES notation for 7-[[2-(3-carbamimidoylphenoxy)carbazol-9-yl]methyl]naphthalene-2-carboximidamide?
The canonical SMILES for 7-[[2-(3-carbamimidoylphenoxy)carbazol-9-yl]methyl]naphthalene-2-carboximidamide is [H]/N=C(\N)c1cccc(Oc2ccc3c4ccccc4n(Cc4ccc5ccc(/C(N)=N/[H])cc5c4)c3c2)c1.
What is the InChIKey of 7-[[2-(3-carbamimidoylphenoxy)carbazol-9-yl]methyl]naphthalene-2-carboximidamide?
The InChIKey is CCLMTIURLCLNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N5O/c32-30(33)21-4-3-5-24(16-21)37-25-12-13-27-26-6-1-2-7-28(26)36(29(27)17-25)18-19-8-9-20-10-11-22(31(34)35)15-23(20)14-19/h1-17H,18H2,(H3,32,33)(H3,34,35).
What are the key properties of 7-[[2-(3-carbamimidoylphenoxy)carbazol-9-yl]methyl]naphthalene-2-carboximidamide?
7-[[2-(3-carbamimidoylphenoxy)carbazol-9-yl]methyl]naphthalene-2-carboximidamide has a molecular weight of 483.58 g/mol, XLogP of 6.36, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(3-carbamimidoylphenoxy)carbazol-9-yl]methyl]naphthalene-2-carboximidamide is sourced from PubChem (CID 10028252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).