9,9-bis(benzo[h]quinolin-2-yl)-10-(2,4,6-trimethylphenyl)acridine

C48H35N3 — CID 90268718

IUPAC9,9-bis(benzo[h]quinolin-2-yl)-10-(2,4,6-trimethylphenyl)acridine
SMILESCc1cc(C)c(N2c3ccccc3C(c3ccc4ccc5ccccc5c4n3)(c3ccc4ccc5ccccc5c4n3)c3ccccc32)c(C)c1
InChIInChI=1S/C48H35N3/c1-30-28-31(2)47(32(3)29-30)51-41-18-10-8-16-39(41)48(40-17-9-11-19-42(40)51,43-26-24-35-22-20-33-12-4-6-14-37(33)45(35)49-43)44-27-25-36-23-21-34-13-5-7-15-38(34)46(36)50-44/h4-29H,1-3H3
InChIKeyNEZLTMUJNNXOSF-UHFFFAOYSA-N
MW653.83 g/mol
LogP12.18
Rot. Bonds3

About 9,9-bis(benzo[h]quinolin-2-yl)-10-(2,4,6-trimethylphenyl)acridine

9,9-bis(benzo[h]quinolin-2-yl)-10-(2,4,6-trimethylphenyl)acridine (PubChem CID 90268718) has the molecular formula C48H35N3 and a molecular weight of 653.83 g/mol. Its IUPAC name is 9,9-bis(benzo[h]quinolin-2-yl)-10-(2,4,6-trimethylphenyl)acridine.

Molecular Properties

Compound Name9,9-bis(benzo[h]quinolin-2-yl)-10-(2,4,6-trimethylphenyl)acridine
PubChem CID90268718
Molecular FormulaC48H35N3
Molecular Weight653.83 g/mol
Exact Mass653.28
IUPAC Name9,9-bis(benzo[h]quinolin-2-yl)-10-(2,4,6-trimethylphenyl)acridine
SMILESCc1cc(C)c(N2c3ccccc3C(c3ccc4ccc5ccccc5c4n3)(c3ccc4ccc5ccccc5c4n3)c3ccccc32)c(C)c1
InChIInChI=1S/C48H35N3/c1-30-28-31(2)47(32(3)29-30)51-41-18-10-8-16-39(41)48(40-17-9-11-19-42(40)51,43-26-24-35-22-20-33-12-4-6-14-37(33)45(35)49-43)44-27-25-36-23-21-34-13-5-7-15-38(34)46(36)50-44/h4-29H,1-3H3
InChIKeyNEZLTMUJNNXOSF-UHFFFAOYSA-N
XLogP12.18
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.83
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,9-bis(benzo[h]quinolin-2-yl)-10-(2,4,6-trimethylphenyl)acridine?
The IUPAC name of 9,9-bis(benzo[h]quinolin-2-yl)-10-(2,4,6-trimethylphenyl)acridine (CID 90268718) is 9,9-bis(benzo[h]quinolin-2-yl)-10-(2,4,6-trimethylphenyl)acridine.
What is the SMILES notation for 9,9-bis(benzo[h]quinolin-2-yl)-10-(2,4,6-trimethylphenyl)acridine?
The canonical SMILES for 9,9-bis(benzo[h]quinolin-2-yl)-10-(2,4,6-trimethylphenyl)acridine is Cc1cc(C)c(N2c3ccccc3C(c3ccc4ccc5ccccc5c4n3)(c3ccc4ccc5ccccc5c4n3)c3ccccc32)c(C)c1.
What is the InChIKey of 9,9-bis(benzo[h]quinolin-2-yl)-10-(2,4,6-trimethylphenyl)acridine?
The InChIKey is NEZLTMUJNNXOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N3/c1-30-28-31(2)47(32(3)29-30)51-41-18-10-8-16-39(41)48(40-17-9-11-19-42(40)51,43-26-24-35-22-20-33-12-4-6-14-37(33)45(35)49-43)44-27-25-36-23-21-34-13-5-7-15-38(34)46(36)50-44/h4-29H,1-3H3.
What are the key properties of 9,9-bis(benzo[h]quinolin-2-yl)-10-(2,4,6-trimethylphenyl)acridine?
9,9-bis(benzo[h]quinolin-2-yl)-10-(2,4,6-trimethylphenyl)acridine has a molecular weight of 653.83 g/mol, XLogP of 12.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(benzo[h]quinolin-2-yl)-10-(2,4,6-trimethylphenyl)acridine is sourced from PubChem (CID 90268718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).