1,2-dibenzyl-1-[[3-(6-dibenzofuran-2-yl-3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]methyl]hydrazine

C46H39N3O — CID 129238867

IUPAC1,2-dibenzyl-1-[[3-(6-dibenzofuran-2-yl-3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]methyl]hydrazine
SMILESCC1C=Cc2c(c3cc(-c4ccc5oc6ccccc6c5c4)ccc3n2-c2cccc(CN(Cc3ccccc3)NCc3ccccc3)c2)C1
InChIInChI=1S/C46H39N3O/c1-32-19-22-43-40(25-32)41-27-36(37-21-24-46-42(28-37)39-17-8-9-18-45(39)50-46)20-23-44(41)49(43)38-16-10-15-35(26-38)31-48(30-34-13-6-3-7-14-34)47-29-33-11-4-2-5-12-33/h2-24,26-28,32,47H,25,29-31H2,1H3
InChIKeySWJIIODAMSKUGO-UHFFFAOYSA-N
MW649.84 g/mol
LogP11.11
Rot. Bonds9

About 1,2-dibenzyl-1-[[3-(6-dibenzofuran-2-yl-3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]methyl]hydrazine

1,2-dibenzyl-1-[[3-(6-dibenzofuran-2-yl-3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]methyl]hydrazine (PubChem CID 129238867) has the molecular formula C46H39N3O and a molecular weight of 649.84 g/mol. Its IUPAC name is 1,2-dibenzyl-1-[[3-(6-dibenzofuran-2-yl-3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]methyl]hydrazine.

Molecular Properties

Compound Name1,2-dibenzyl-1-[[3-(6-dibenzofuran-2-yl-3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]methyl]hydrazine
PubChem CID129238867
Molecular FormulaC46H39N3O
Molecular Weight649.84 g/mol
Exact Mass649.31
IUPAC Name1,2-dibenzyl-1-[[3-(6-dibenzofuran-2-yl-3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]methyl]hydrazine
SMILESCC1C=Cc2c(c3cc(-c4ccc5oc6ccccc6c5c4)ccc3n2-c2cccc(CN(Cc3ccccc3)NCc3ccccc3)c2)C1
InChIInChI=1S/C46H39N3O/c1-32-19-22-43-40(25-32)41-27-36(37-21-24-46-42(28-37)39-17-8-9-18-45(39)50-46)20-23-44(41)49(43)38-16-10-15-35(26-38)31-48(30-34-13-6-3-7-14-34)47-29-33-11-4-2-5-12-33/h2-24,26-28,32,47H,25,29-31H2,1H3
InChIKeySWJIIODAMSKUGO-UHFFFAOYSA-N
XLogP11.11
TPSA33.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.84
LogP ≤ 511.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibenzyl-1-[[3-(6-dibenzofuran-2-yl-3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]methyl]hydrazine?
The IUPAC name of 1,2-dibenzyl-1-[[3-(6-dibenzofuran-2-yl-3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]methyl]hydrazine (CID 129238867) is 1,2-dibenzyl-1-[[3-(6-dibenzofuran-2-yl-3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]methyl]hydrazine.
What is the SMILES notation for 1,2-dibenzyl-1-[[3-(6-dibenzofuran-2-yl-3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]methyl]hydrazine?
The canonical SMILES for 1,2-dibenzyl-1-[[3-(6-dibenzofuran-2-yl-3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]methyl]hydrazine is CC1C=Cc2c(c3cc(-c4ccc5oc6ccccc6c5c4)ccc3n2-c2cccc(CN(Cc3ccccc3)NCc3ccccc3)c2)C1.
What is the InChIKey of 1,2-dibenzyl-1-[[3-(6-dibenzofuran-2-yl-3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]methyl]hydrazine?
The InChIKey is SWJIIODAMSKUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H39N3O/c1-32-19-22-43-40(25-32)41-27-36(37-21-24-46-42(28-37)39-17-8-9-18-45(39)50-46)20-23-44(41)49(43)38-16-10-15-35(26-38)31-48(30-34-13-6-3-7-14-34)47-29-33-11-4-2-5-12-33/h2-24,26-28,32,47H,25,29-31H2,1H3.
What are the key properties of 1,2-dibenzyl-1-[[3-(6-dibenzofuran-2-yl-3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]methyl]hydrazine?
1,2-dibenzyl-1-[[3-(6-dibenzofuran-2-yl-3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]methyl]hydrazine has a molecular weight of 649.84 g/mol, XLogP of 11.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibenzyl-1-[[3-(6-dibenzofuran-2-yl-3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]methyl]hydrazine is sourced from PubChem (CID 129238867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).