11-(2-bromophenyl)-6-phenylbenzo[b]acridine

C29H18BrN — CID 12965588

IUPAC11-(2-bromophenyl)-6-phenylbenzo[b]acridine
SMILESBrc1ccccc1-c1c2ccccc2c(-c2ccccc2)c2nc3ccccc3cc12
InChIInChI=1S/C29H18BrN/c30-25-16-8-7-15-23(25)28-22-14-6-5-13-21(22)27(19-10-2-1-3-11-19)29-24(28)18-20-12-4-9-17-26(20)31-29/h1-18H
InChIKeyLAGXSBSGQGSIDX-UHFFFAOYSA-N
MW460.37 g/mol
LogP8.64
Rot. Bonds2

About 11-(2-bromophenyl)-6-phenylbenzo[b]acridine

11-(2-bromophenyl)-6-phenylbenzo[b]acridine (PubChem CID 12965588) has the molecular formula C29H18BrN and a molecular weight of 460.37 g/mol. Its IUPAC name is 11-(2-bromophenyl)-6-phenylbenzo[b]acridine.

Molecular Properties

Compound Name11-(2-bromophenyl)-6-phenylbenzo[b]acridine
PubChem CID12965588
Molecular FormulaC29H18BrN
Molecular Weight460.37 g/mol
Exact Mass459.06
IUPAC Name11-(2-bromophenyl)-6-phenylbenzo[b]acridine
SMILESBrc1ccccc1-c1c2ccccc2c(-c2ccccc2)c2nc3ccccc3cc12
InChIInChI=1S/C29H18BrN/c30-25-16-8-7-15-23(25)28-22-14-6-5-13-21(22)27(19-10-2-1-3-11-19)29-24(28)18-20-12-4-9-17-26(20)31-29/h1-18H
InChIKeyLAGXSBSGQGSIDX-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-(2-bromophenyl)-6-phenylbenzo[b]acridine?
The IUPAC name of 11-(2-bromophenyl)-6-phenylbenzo[b]acridine (CID 12965588) is 11-(2-bromophenyl)-6-phenylbenzo[b]acridine.
What is the SMILES notation for 11-(2-bromophenyl)-6-phenylbenzo[b]acridine?
The canonical SMILES for 11-(2-bromophenyl)-6-phenylbenzo[b]acridine is Brc1ccccc1-c1c2ccccc2c(-c2ccccc2)c2nc3ccccc3cc12.
What is the InChIKey of 11-(2-bromophenyl)-6-phenylbenzo[b]acridine?
The InChIKey is LAGXSBSGQGSIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18BrN/c30-25-16-8-7-15-23(25)28-22-14-6-5-13-21(22)27(19-10-2-1-3-11-19)29-24(28)18-20-12-4-9-17-26(20)31-29/h1-18H.
What are the key properties of 11-(2-bromophenyl)-6-phenylbenzo[b]acridine?
11-(2-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-(2-bromophenyl)-6-phenylbenzo[b]acridine is sourced from PubChem (CID 12965588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).