11-(4-bromophenyl)-6-phenylbenzo[b]acridine

C29H18BrN — CID 12965980

IUPAC11-(4-bromophenyl)-6-phenylbenzo[b]acridine
SMILESBrc1ccc(-c2c3ccccc3c(-c3ccccc3)c3nc4ccccc4cc23)cc1
InChIInChI=1S/C29H18BrN/c30-22-16-14-20(15-17-22)27-23-11-5-6-12-24(23)28(19-8-2-1-3-9-19)29-25(27)18-21-10-4-7-13-26(21)31-29/h1-18H
InChIKeyUFJAHYBTCGPRIM-UHFFFAOYSA-N
MW460.37 g/mol
LogP8.64
Rot. Bonds2

About 11-(4-bromophenyl)-6-phenylbenzo[b]acridine

11-(4-bromophenyl)-6-phenylbenzo[b]acridine (PubChem CID 12965980) has the molecular formula C29H18BrN and a molecular weight of 460.37 g/mol. Its IUPAC name is 11-(4-bromophenyl)-6-phenylbenzo[b]acridine.

Molecular Properties

Compound Name11-(4-bromophenyl)-6-phenylbenzo[b]acridine
PubChem CID12965980
Molecular FormulaC29H18BrN
Molecular Weight460.37 g/mol
Exact Mass459.06
IUPAC Name11-(4-bromophenyl)-6-phenylbenzo[b]acridine
SMILESBrc1ccc(-c2c3ccccc3c(-c3ccccc3)c3nc4ccccc4cc23)cc1
InChIInChI=1S/C29H18BrN/c30-22-16-14-20(15-17-22)27-23-11-5-6-12-24(23)28(19-8-2-1-3-9-19)29-25(27)18-21-10-4-7-13-26(21)31-29/h1-18H
InChIKeyUFJAHYBTCGPRIM-UHFFFAOYSA-N
XLogP8.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.37
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

Benz(c)acridine
CID 9181
Dibenz(a,j)acridine
CID 9177
DIBENZ(a,h)ACRIDINE
CID 9183
Dibenz(c,h)acridine
CID 9178
Benz(a)acridine
CID 9180
7-Methylbenz(c)acridine
CID 76861
Dibenz(a,c)acridine
CID 9165
7,9-Dimethylbenz(c)acridine
CID 13757
3-Methylbenzo(f)quinoline
CID 6797
7,10-Dimethylbenz(c)acridine
CID 16936
Benzo[h]quinoline, 2,4-dimethyl-
CID 610182
9-Bromoacridine
CID 15588290

Frequently Asked Questions

What is the IUPAC name of 11-(4-bromophenyl)-6-phenylbenzo[b]acridine?
The IUPAC name of 11-(4-bromophenyl)-6-phenylbenzo[b]acridine (CID 12965980) is 11-(4-bromophenyl)-6-phenylbenzo[b]acridine.
What is the SMILES notation for 11-(4-bromophenyl)-6-phenylbenzo[b]acridine?
The canonical SMILES for 11-(4-bromophenyl)-6-phenylbenzo[b]acridine is Brc1ccc(-c2c3ccccc3c(-c3ccccc3)c3nc4ccccc4cc23)cc1.
What is the InChIKey of 11-(4-bromophenyl)-6-phenylbenzo[b]acridine?
The InChIKey is UFJAHYBTCGPRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18BrN/c30-22-16-14-20(15-17-22)27-23-11-5-6-12-24(23)28(19-8-2-1-3-9-19)29-25(27)18-21-10-4-7-13-26(21)31-29/h1-18H.
What are the key properties of 11-(4-bromophenyl)-6-phenylbenzo[b]acridine?
11-(4-bromophenyl)-6-phenylbenzo[b]acridine has a molecular weight of 460.37 g/mol, XLogP of 8.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-bromophenyl)-6-phenylbenzo[b]acridine is sourced from PubChem (CID 12965980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).