2H-1,5-benzodiazepine;2,3,4,5-tetrahydrochrysene

C27H24N2 — CID 174375639

IUPAC2H-1,5-benzodiazepine;2,3,4,5-tetrahydrochrysene
SMILESC1=CN=c2ccccc2=NC1.C1=c2ccc3c(c2CCC1)CC=c1ccccc1=3
InChIInChI=1S/C18H16.C9H8N2/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-5-9-8(4-1)10-6-3-7-11-9/h1,3,5-7,9-10,12H,2,4,8,11H2;1-6H,7H2
InChIKeyFXWQEBUVKHNFDZ-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.88
Rot. Bonds

About 2H-1,5-benzodiazepine;2,3,4,5-tetrahydrochrysene

2H-1,5-benzodiazepine;2,3,4,5-tetrahydrochrysene (PubChem CID 174375639) has the molecular formula C27H24N2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2H-1,5-benzodiazepine;2,3,4,5-tetrahydrochrysene.

Molecular Properties

Compound Name2H-1,5-benzodiazepine;2,3,4,5-tetrahydrochrysene
PubChem CID174375639
Molecular FormulaC27H24N2
Molecular Weight376.50 g/mol
Exact Mass376.19
IUPAC Name2H-1,5-benzodiazepine;2,3,4,5-tetrahydrochrysene
SMILESC1=CN=c2ccccc2=NC1.C1=c2ccc3c(c2CCC1)CC=c1ccccc1=3
InChIInChI=1S/C18H16.C9H8N2/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-5-9-8(4-1)10-6-3-7-11-9/h1,3,5-7,9-10,12H,2,4,8,11H2;1-6H,7H2
InChIKeyFXWQEBUVKHNFDZ-UHFFFAOYSA-N
XLogP2.88
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2H-1,5-benzodiazepine;2,3,4,5-tetrahydrochrysene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2H-1,5-benzodiazepine;2,3,4,5-tetrahydrochrysene?
The IUPAC name of 2H-1,5-benzodiazepine;2,3,4,5-tetrahydrochrysene (CID 174375639) is 2H-1,5-benzodiazepine;2,3,4,5-tetrahydrochrysene.
What is the SMILES notation for 2H-1,5-benzodiazepine;2,3,4,5-tetrahydrochrysene?
The canonical SMILES for 2H-1,5-benzodiazepine;2,3,4,5-tetrahydrochrysene is C1=CN=c2ccccc2=NC1.C1=c2ccc3c(c2CCC1)CC=c1ccccc1=3.
What is the InChIKey of 2H-1,5-benzodiazepine;2,3,4,5-tetrahydrochrysene?
The InChIKey is FXWQEBUVKHNFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16.C9H8N2/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-5-9-8(4-1)10-6-3-7-11-9/h1,3,5-7,9-10,12H,2,4,8,11H2;1-6H,7H2.
What are the key properties of 2H-1,5-benzodiazepine;2,3,4,5-tetrahydrochrysene?
2H-1,5-benzodiazepine;2,3,4,5-tetrahydrochrysene has a molecular weight of 376.50 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,5-benzodiazepine;2,3,4,5-tetrahydrochrysene is sourced from PubChem (CID 174375639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).