4-benzylbenzonitrile;9-cyclohexa-1,3-dien-1-yl-3-methylcarbazole;dibenzofuran-4-ylmethanamine;ethane;hydrazine

C48H49N5O — CID 142364448

IUPAC4-benzylbenzonitrile;9-cyclohexa-1,3-dien-1-yl-3-methylcarbazole;dibenzofuran-4-ylmethanamine;ethane;hydrazine
SMILESCC.Cc1ccc2c(c1)c1ccccc1n2C1=CC=CCC1.N#Cc1ccc(Cc2ccccc2)cc1.NCc1cccc2c1oc1ccccc12.NN
InChIInChI=1S/C19H17N.C14H11N.C13H11NO.C2H6.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;14-8-9-4-3-6-11-10-5-1-2-7-12(10)15-13(9)11;2*1-2/h2-3,5-7,9-13H,4,8H2,1H3;1-9H,10H2;1-7H,8,14H2;1-2H3;1-2H2
InChIKeyPLRXUMZYXXMBQM-UHFFFAOYSA-N
MW711.95 g/mol
LogP11.33
Rot. Bonds4

About 4-benzylbenzonitrile;9-cyclohexa-1,3-dien-1-yl-3-methylcarbazole;dibenzofuran-4-ylmethanamine;ethane;hydrazine

4-benzylbenzonitrile;9-cyclohexa-1,3-dien-1-yl-3-methylcarbazole;dibenzofuran-4-ylmethanamine;ethane;hydrazine (PubChem CID 142364448) has the molecular formula C48H49N5O and a molecular weight of 711.95 g/mol. Its IUPAC name is 4-benzylbenzonitrile;9-cyclohexa-1,3-dien-1-yl-3-methylcarbazole;dibenzofuran-4-ylmethanamine;ethane;hydrazine.

Molecular Properties

Compound Name4-benzylbenzonitrile;9-cyclohexa-1,3-dien-1-yl-3-methylcarbazole;dibenzofuran-4-ylmethanamine;ethane;hydrazine
PubChem CID142364448
Molecular FormulaC48H49N5O
Molecular Weight711.95 g/mol
Exact Mass711.39
IUPAC Name4-benzylbenzonitrile;9-cyclohexa-1,3-dien-1-yl-3-methylcarbazole;dibenzofuran-4-ylmethanamine;ethane;hydrazine
SMILESCC.Cc1ccc2c(c1)c1ccccc1n2C1=CC=CCC1.N#Cc1ccc(Cc2ccccc2)cc1.NCc1cccc2c1oc1ccccc12.NN
InChIInChI=1S/C19H17N.C14H11N.C13H11NO.C2H6.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;14-8-9-4-3-6-11-10-5-1-2-7-12(10)15-13(9)11;2*1-2/h2-3,5-7,9-13H,4,8H2,1H3;1-9H,10H2;1-7H,8,14H2;1-2H3;1-2H2
InChIKeyPLRXUMZYXXMBQM-UHFFFAOYSA-N
XLogP11.33
TPSA119.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.95
LogP ≤ 511.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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;hydrazine;4-methyldibenzofuran;3-methyl-9-phenylcarbazole
CID 142364455
2-[1-(9-cyclohexa-1,3-dien-1-ylcarbazol-1-yl)-6-methylcarbazol-9-yl]benzonitrile
CID 146181936
1-benzylnaphthalene;9-cyclohexa-1,3-dien-1-yl-3-(6-methyldibenzothiophen-3-yl)carbazole;ethane;methanamine
CID 142364397
dibenzofuran-4-ylmethanamine
CID 82606963
9-[6-[3-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]propyl]dibenzofuran-2-yl]carbazole-3,6-dicarbonitrile
CID 145345342
2-[(2-carbazol-9-yldibenzofuran-4-yl)methyl]-9-(8-methyldibenzofuran-4-yl)carbazole
CID 130359021
2,4,6-tri(carbazol-9-yl)-5-(2-methyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile
CID 146325275
9-[4-methyl-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]carbazole-3-carbonitrile
CID 146594001
9-[8-(2-methylcarbazol-9-yl)dibenzofuran-4-yl]carbazole-2-carbonitrile
CID 126754672
5-[3-dibenzofuran-4-yl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]cyclohexa-2,4-diene-1-carbonitrile
CID 126589938
9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile;ethane;propane
CID 145345110
9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 134337735

Frequently Asked Questions

What is the IUPAC name of 4-benzylbenzonitrile;9-cyclohexa-1,3-dien-1-yl-3-methylcarbazole;dibenzofuran-4-ylmethanamine;ethane;hydrazine?
The IUPAC name of 4-benzylbenzonitrile;9-cyclohexa-1,3-dien-1-yl-3-methylcarbazole;dibenzofuran-4-ylmethanamine;ethane;hydrazine (CID 142364448) is 4-benzylbenzonitrile;9-cyclohexa-1,3-dien-1-yl-3-methylcarbazole;dibenzofuran-4-ylmethanamine;ethane;hydrazine.
What is the SMILES notation for 4-benzylbenzonitrile;9-cyclohexa-1,3-dien-1-yl-3-methylcarbazole;dibenzofuran-4-ylmethanamine;ethane;hydrazine?
The canonical SMILES for 4-benzylbenzonitrile;9-cyclohexa-1,3-dien-1-yl-3-methylcarbazole;dibenzofuran-4-ylmethanamine;ethane;hydrazine is CC.Cc1ccc2c(c1)c1ccccc1n2C1=CC=CCC1.N#Cc1ccc(Cc2ccccc2)cc1.NCc1cccc2c1oc1ccccc12.NN.
What is the InChIKey of 4-benzylbenzonitrile;9-cyclohexa-1,3-dien-1-yl-3-methylcarbazole;dibenzofuran-4-ylmethanamine;ethane;hydrazine?
The InChIKey is PLRXUMZYXXMBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N.C14H11N.C13H11NO.C2H6.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;14-8-9-4-3-6-11-10-5-1-2-7-12(10)15-13(9)11;2*1-2/h2-3,5-7,9-13H,4,8H2,1H3;1-9H,10H2;1-7H,8,14H2;1-2H3;1-2H2.
What are the key properties of 4-benzylbenzonitrile;9-cyclohexa-1,3-dien-1-yl-3-methylcarbazole;dibenzofuran-4-ylmethanamine;ethane;hydrazine?
4-benzylbenzonitrile;9-cyclohexa-1,3-dien-1-yl-3-methylcarbazole;dibenzofuran-4-ylmethanamine;ethane;hydrazine has a molecular weight of 711.95 g/mol, XLogP of 11.33, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylbenzonitrile;9-cyclohexa-1,3-dien-1-yl-3-methylcarbazole;dibenzofuran-4-ylmethanamine;ethane;hydrazine is sourced from PubChem (CID 142364448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).