4-benzylbenzonitrile;hydrazine;4-methyldibenzofuran;3-methyl-9-phenylcarbazole

C46H40N4O — CID 142364455

IUPAC4-benzylbenzonitrile;hydrazine;4-methyldibenzofuran;3-methyl-9-phenylcarbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1cccc2c1oc1ccccc12.N#Cc1ccc(Cc2ccccc2)cc1.NN
InChIInChI=1S/C19H15N.C14H11N.C13H10O.H4N2/c1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15;15-11-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-2/h2-13H,1H3;1-9H,10H2;2-8H,1H3;1-2H2
InChIKeyPLFGLOYXYLJOND-UHFFFAOYSA-N
MW664.85 g/mol
LogP10.95
Rot. Bonds3

About 4-benzylbenzonitrile;hydrazine;4-methyldibenzofuran;3-methyl-9-phenylcarbazole

4-benzylbenzonitrile;hydrazine;4-methyldibenzofuran;3-methyl-9-phenylcarbazole (PubChem CID 142364455) has the molecular formula C46H40N4O and a molecular weight of 664.85 g/mol. Its IUPAC name is 4-benzylbenzonitrile;hydrazine;4-methyldibenzofuran;3-methyl-9-phenylcarbazole.

Molecular Properties

Compound Name4-benzylbenzonitrile;hydrazine;4-methyldibenzofuran;3-methyl-9-phenylcarbazole
PubChem CID142364455
Molecular FormulaC46H40N4O
Molecular Weight664.85 g/mol
Exact Mass664.32
IUPAC Name4-benzylbenzonitrile;hydrazine;4-methyldibenzofuran;3-methyl-9-phenylcarbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1cccc2c1oc1ccccc12.N#Cc1ccc(Cc2ccccc2)cc1.NN
InChIInChI=1S/C19H15N.C14H11N.C13H10O.H4N2/c1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15;15-11-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-2/h2-13H,1H3;1-9H,10H2;2-8H,1H3;1-2H2
InChIKeyPLFGLOYXYLJOND-UHFFFAOYSA-N
XLogP10.95
TPSA93.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.85
LogP ≤ 510.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-benzylbenzonitrile;9-cyclohexa-1,3-dien-1-yl-3-methylcarbazole;dibenzofuran-4-ylmethanamine;ethane;hydrazine
CID 142364448
benzylbenzene;4-methyldibenzofuran;9-phenylcarbazole-4-carboximidamide
CID 142504971
9-[4-methyl-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]carbazole-3-carbonitrile
CID 146594001
9-(4-dibenzofuran-4-ylphenyl)-3-methylcarbazole
CID 129128081
6-methyl-9-phenylcarbazole-2-carbonitrile
CID 129176191
9-[8-(2-methylcarbazol-9-yl)dibenzofuran-4-yl]carbazole-2-carbonitrile
CID 126754672
2-benzyl-6-methyldibenzofuran
CID 155004540
4-[4-(5-phenyl-18-oxa-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaen-15-yl)phenyl]sulfanylbenzonitrile
CID 171844610
2-[(2-carbazol-9-yldibenzofuran-4-yl)methyl]-9-(8-methyldibenzofuran-4-yl)carbazole
CID 130359021
9-[4-[(3-methylphenyl)methyl]phenyl]carbazole
CID 143035757
4-[4-[N-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)anilino]phenyl]benzonitrile
CID 118314835
3-[3-[4-(7-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzonitrile
CID 129087220

Frequently Asked Questions

What is the IUPAC name of 4-benzylbenzonitrile;hydrazine;4-methyldibenzofuran;3-methyl-9-phenylcarbazole?
The IUPAC name of 4-benzylbenzonitrile;hydrazine;4-methyldibenzofuran;3-methyl-9-phenylcarbazole (CID 142364455) is 4-benzylbenzonitrile;hydrazine;4-methyldibenzofuran;3-methyl-9-phenylcarbazole.
What is the SMILES notation for 4-benzylbenzonitrile;hydrazine;4-methyldibenzofuran;3-methyl-9-phenylcarbazole?
The canonical SMILES for 4-benzylbenzonitrile;hydrazine;4-methyldibenzofuran;3-methyl-9-phenylcarbazole is Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1cccc2c1oc1ccccc12.N#Cc1ccc(Cc2ccccc2)cc1.NN.
What is the InChIKey of 4-benzylbenzonitrile;hydrazine;4-methyldibenzofuran;3-methyl-9-phenylcarbazole?
The InChIKey is PLFGLOYXYLJOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N.C14H11N.C13H10O.H4N2/c1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15;15-11-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-2/h2-13H,1H3;1-9H,10H2;2-8H,1H3;1-2H2.
What are the key properties of 4-benzylbenzonitrile;hydrazine;4-methyldibenzofuran;3-methyl-9-phenylcarbazole?
4-benzylbenzonitrile;hydrazine;4-methyldibenzofuran;3-methyl-9-phenylcarbazole has a molecular weight of 664.85 g/mol, XLogP of 10.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylbenzonitrile;hydrazine;4-methyldibenzofuran;3-methyl-9-phenylcarbazole is sourced from PubChem (CID 142364455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).