4-indol-1-ylaniline;naphthalene-1,2-diimine

C24H20N4 — CID 144936362

IUPAC4-indol-1-ylaniline;naphthalene-1,2-diimine
SMILESNc1ccc(-n2ccc3ccccc32)cc1.[H]/N=C1C(=N\[H])\C=Cc2ccccc2\1
InChIInChI=1S/C14H12N2.C10H8N2/c15-12-5-7-13(8-6-12)16-10-9-11-3-1-2-4-14(11)16;11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-10H,15H2;1-6,11-12H/b;11-9+,12-10-
InChIKeyPWAVBGNTFWLIDI-YAKWFZIYSA-N
MW364.45 g/mol
LogP5.31
Rot. Bonds1

About 4-indol-1-ylaniline;naphthalene-1,2-diimine

4-indol-1-ylaniline;naphthalene-1,2-diimine (PubChem CID 144936362) has the molecular formula C24H20N4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-indol-1-ylaniline;naphthalene-1,2-diimine.

Molecular Properties

Compound Name4-indol-1-ylaniline;naphthalene-1,2-diimine
PubChem CID144936362
Molecular FormulaC24H20N4
Molecular Weight364.45 g/mol
Exact Mass364.17
IUPAC Name4-indol-1-ylaniline;naphthalene-1,2-diimine
SMILESNc1ccc(-n2ccc3ccccc32)cc1.[H]/N=C1C(=N\[H])\C=Cc2ccccc2\1
InChIInChI=1S/C14H12N2.C10H8N2/c15-12-5-7-13(8-6-12)16-10-9-11-3-1-2-4-14(11)16;11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-10H,15H2;1-6,11-12H/b;11-9+,12-10-
InChIKeyPWAVBGNTFWLIDI-YAKWFZIYSA-N
XLogP5.31
TPSA78.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-indol-1-ylbenzamide
CID 10879114
1-[4-(chloromethyl)phenyl]indole
CID 13021305
1-[4-(4-aminobenzoyl)phenyl]indole-5-carboxamide
CID 174703366
1-[(4-indol-1-ylphenyl)diazenyl]naphthalen-2-amine
CID 123928182
2-[4-(6,7-dihydroindol-1-yl)phenyl]-4,6-bis(4-indol-1-ylphenyl)benzene-1,3,5-tricarbonitrile
CID 130352833
2-(4-indol-1-ylphenyl)-1,3-benzoxazole
CID 150646214
aniline;4-(10-phenylphenazin-5-yl)cyclohexa-3,5-diene-1,2-diimine
CID 144936370
1-(4-chloro-3-fluorophenyl)indole
CID 91422915
aniline;10-(3,4-diiminocyclohexa-1,5-dien-1-yl)acridin-9-one
CID 144936377
phenyl 2-[4-(4-indol-1-ylphenyl)phenoxy]acetate
CID 91465969
3-indol-1-ylisoquinolin-6-amine
CID 164820532
3-(4-aminophenyl)-1-methylquinolin-2-one;ethane
CID 90778369

Frequently Asked Questions

What is the IUPAC name of 4-indol-1-ylaniline;naphthalene-1,2-diimine?
The IUPAC name of 4-indol-1-ylaniline;naphthalene-1,2-diimine (CID 144936362) is 4-indol-1-ylaniline;naphthalene-1,2-diimine.
What is the SMILES notation for 4-indol-1-ylaniline;naphthalene-1,2-diimine?
The canonical SMILES for 4-indol-1-ylaniline;naphthalene-1,2-diimine is Nc1ccc(-n2ccc3ccccc32)cc1.[H]/N=C1C(=N\[H])\C=Cc2ccccc2\1.
What is the InChIKey of 4-indol-1-ylaniline;naphthalene-1,2-diimine?
The InChIKey is PWAVBGNTFWLIDI-YAKWFZIYSA-N. The full InChI is InChI=1S/C14H12N2.C10H8N2/c15-12-5-7-13(8-6-12)16-10-9-11-3-1-2-4-14(11)16;11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-10H,15H2;1-6,11-12H/b;11-9+,12-10-.
What are the key properties of 4-indol-1-ylaniline;naphthalene-1,2-diimine?
4-indol-1-ylaniline;naphthalene-1,2-diimine has a molecular weight of 364.45 g/mol, XLogP of 5.31, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indol-1-ylaniline;naphthalene-1,2-diimine is sourced from PubChem (CID 144936362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).